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Home> Encyclopedia > Hot Product Listed H   > HOMOPTEROCARPIN
606-91-7 structure

HOMOPTEROCARPIN

Iupac Name:(6aR,11aR)-3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
CAS No.:606-91-7
Molecular Weight:284.311
Molecular Formula:C17H16O4 (isomer)
Names and Identifiers
Synonyms

(-)-6aalpha,11aalpha-dihydro-3,9-dimethoxy-6h-benzofuro(3,2-c)(1)benzopyran (1r,10r)-5,14-dimethoxy-8,17-dioxatetracyclo[8.7.0.0(2),?.0(1)(1),(1)?]heptadeca-2(7),3,5,11(16),12,14-hexaene (1r,10r)-5,14-dimethoxy-8,17-dioxatetracyclo[8.7.0.0(2),?.0(1)(1),(1)?]heptadeca-2(7),3,5,11,13,15-hexaene (6aR)-6a,11aα-Dihydro-3,9-dimethoxy-6H-benzofuro[3,2-c][1]benzopyran (6aR)-6aα,11aα-Dihydro-3,9-dimethoxy-6H-benzofuro[3,2-c][1]benzopyran (6ar,11ar)-3,9-dimethoxy-6a,11a-dihydro-6h-[1]benzofuro[3,2-c]chromene 3,9-dimethoxy-6a,11a-dihydro-6h-[1]benzofuro[3,2-c]chromene # 3,9-dimethoxypterocarpan 6h-benzofuro(3,2-c)(1)benzopyran, 6aalpha,11aalpha-dihydro-3,9-dimethoxy-, (-)- 6h-benzofuro[3,2-c][1]benzopyran, 6a,11a-dihydro-3,9-dimethoxy-, (6ar-cis)- 6h-benzofuro[3,2-c][1]benzopyran, 6a,11a-dihydro-3,9-dimethoxy-, cis-(-)- 6h-benzofuro[3,2-c][1]benzopyran, 6a.alpha.,11a.alpha.-dihydro-3,9-dimethoxy-, (-)- 9559AF AC1L2RK8 AC1Q70TY BSPBIO_001818 CCG-38645 CHEBI:114197 CHEMBL396671 CTK8E0483 DIVK1C_006308 homopterocarpin isomer KBIO1_001252 KBIO2_000942 KBIO2_003510 KBIO2_006078 KBIO3_000998 KBIOGR_002098 KBIOSS_000942 MOLPORT-003-665-707 NCGC00178980-01 SCHEMBL12810803 SDCCGMLS-0066372.P001 SPBIO_000523 SPECPLUS_000212 SPECTRUM_000462 SPECTRUM100743 SPECTRUM2_000372 SPECTRUM3_000139 SPECTRUM4_001569 SPECTRUM5_000198 sr-05000002538 SR-05000002538-1 VPGIGLKLCFOWDN-YOEHRIQHSA-N ZINC2145015

Inchi
InChI=1S/C17H16O4/c1-18-10-4-6-13-15(7-10)20-9-14-12-5-3-11(19-2)8-16(12)21-17(13)14/h3-8,14,17H,9H2,1-2H3/t14-,17-/m0/s1
InChkey
VPGIGLKLCFOWDN-YOEHRIQHSA-N
Canonical Smiles
COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC
Isomers Smiles
COC1=CC2=C(C=C1)[C@@H]3COC4=C([C@@H]3O2)C=CC(=C4)OC
Properties
Density
1.233
Boiling Point
395°C at 760 mmHg
Refractive Index
1.588
Flash Point
140.4°C
HS Code
2932999099
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

Precursor and Product
product :
60102-29-6
60102-29-6
Computational chemical data
  • Molecular Weight:284.311g/mol
  • Molecular Formula:C17H16O4
  • Compound Is Canonicalized:True
  • Exact Mass:284.105
  • Monoisotopic Mass:284.105
  • Complexity:374
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:36.9A^2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB4OAAAAAAAAAAAAAAAAAAAASAAAAA0YIAAAAAAAEiRQAAAGgAAAAAADRSgmAIyBoAABACA AiBCAAACCAAgIAAIiAAGCIgMJyKEMRqCOCClwBUIqAfA4PwOoAAACAAIAABAAAAQABAAAAAAAAAA AA==
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  • Tel:86-21-60542966
  • Fax:86-21-61916468
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