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Home> Hot Product Listed S   > Serpentine
6426-43-3 structure

Serpentine

CAS No.:6426-43-3
Molecular Weight:468.75408
Molecular Formula:C10H18O4 (isomer)
Names and Identifiers
Synonyms

(19 alpha)-3,4,5,6,16,17-Hexadehydro-16-(methoxycarbonyl)-19-methyloxayohimbanium (19|A)-16-(methoxycarbonyl)-19-methyl-3,4,5,6,16,17-hexadehydro-18-oxayohimban-4-ium 131-07-7 (hydroxide inner salt) 3,4,5,6,16,17-Hexadehydro-16-(methoxycarbonyl)-19alpha-methyl-18-oxayohimbanium (inneres salz) 3,4,5,6-Tetradehydroajmalicine 58782-36-8 (hydrogen tartrate[1:1] salt) AC1L2JRY AC1Q5YLO AR-1A0705 EINECS 242-570-5 KST-1A6435 NSC 407301 Oxayohimbanium, 3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19-methyl-, (19.alpha.)- Oxayohimbanium, 3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19-methyl-, (19alpha)- (9CI) Serpentine (VAN) ZINC05752353

Inchi
InChI=1/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h21,23-27H,1,10-19H2,2-9H3/t21-,23-,24+,25-,26+,27-,29-,30+,31-,32?/m1/s1
Canonical Smiles
CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)OC(=O)C)C
Isomers Smiles
C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CCC4([C@@]3(CC[C@]2
(CCC1=C)C)C)C)(C)C)OC(=O)C)C
Properties
Refractive Index
1.525
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:468.75408g/mol
  • Molecular Formula:C10H18O4
  • Exact Mass:468.396731
  • Monoisotopic Mass:468.396731
  • Complexity:872
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3
  • Heavy Atom Count:34
  • Defined Atom Stereocenter Count:9
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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