Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed S   > Spiro[chrysene-2(1H),3'(2'H)-furan]-2'-one,8-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]o...
70124-77-5 structure

Spiro[chrysene-2(1H),3'(2'H)-furan]-2'-one,8-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5'-[(1S,2R)-2-(b-D-glucopyranosyloxy)-1-methylpropyl]-3,4,4a,4',4b,5,5',6,6a,7,8,9,10,10a,10b,11-hexadecahydro-1,9-dihydroxy-4a,4b,7,7,10a-pentamethyl-,(2R,4aS,4bR,5'R,6aR,8R,9R,10aR,10bR)- (9CI)

Iupac Name:[cyano-(3-phenoxyphenyl)methyl] 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate
CAS No.:70124-77-5
EINECS(EC#): 207-063-5
Molecular Weight:451.47
Molecular Formula:SR (isomer)
Names and Identifiers
Synonyms

(-)-Alatoside C 18,19-Secours-12-en-28-oicacid, 3-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-19-(b-D-glucopyranosyloxy)-2,18,21-trihydroxy-, g-lactone, (2a,3b,19R,21R)- Alatoside C AlatosideC (Sesamum alatum) Spiro[chrysene-2(1H),3'(2'H)-furan],18,19-secours-12-en-28-oic acid deriv.

Inchi
InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3
InChkey
GBIHOLCMZGAKNG-UHFFFAOYSA-N
Canonical Smiles
CC(C)C(C1=CC=C(C=C1)OC(F)F)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3
Properties
Refractive Index
1.553
Flash Point
323.3°C
Safety and Handling
Risk Statements
R20/21
Safety Statements
36/37-45-60-61-62
Transport
UN 2810 6.1/PG 3
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 4

Acute toxicity - Inhalation, Category 2

Specific target organ toxicity \u2013 repeated exposure, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H226 Flammable liquid and vapour

H301 Toxic if swallowed

H312 Harmful in contact with skin

H330 Fatal if inhaled

H373 May cause damage to organs through prolonged or repeated exposure

H400 Very toxic to aquatic life

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P284 [In case of inadequate ventilation] wear respiratory protection.

P273 Avoid release to the environment.

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P362+P364 Take off contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P320 Specific treatment is urgent (see ... on this label).

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:451.47g/mol
  • Molecular Formula:SR
  • Compound Is Canonicalized:True
  • XLogP3-AA:6.2
  • Exact Mass:451.16
  • Monoisotopic Mass:451.16
  • Complexity:650
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:68.6A^2
  • Heavy Atom Count:33
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB6OYAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHwAAAAAADRShmBIyDoAABACY BiDSCAACCAAgIAAIiAEGCIgMpjKENRqCOCCkwBEIqA/IyPCOoAABAAAAAABAAAIAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:0086-571-86722205
  • Fax:0086-571-86722205
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-531-88681605
  • Fax:86-0531-82687201
  • Tel:0086-21-50563169
  • Fax:
  • Tel:86-21-61551611
  • Fax:86-021-50676805
  • Tel:86-311-80955068
  • Fax:86-0311-80955068
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:0086-571-86722205
  • Fax:0086-571-86722205
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-531-88681605
  • Fax:86-0531-82687201
  • Tel:0086-21-50563169
  • Fax:
  • Tel:86-21-61551611
  • Fax:86-021-50676805
  • Tel:86-311-80955068
  • Fax:86-0311-80955068
 
<