methyl (3S,4aS,7R,8R,10S,10aR)-3-ethenyl-3-(hydroxymethyl)-4a,7,10a-trimethyl-8,10-bis(oxidanyl)-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene-7-carboxylate

Systemtic Name: methyl (3S,4aS,7R,8R,10S,10aR)-3-ethenyl-3-(hydroxymethyl)-4a,7,10a-trimethyl-8,10-bis(oxidanyl)-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene-7-carboxylate Openeye Name: methyl (3S,4aS,7R,8R,10S,10aR)-8,10-dihydroxy-3-(hydroxymethyl)-4a,7,10a-trimethyl-3-vinyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene-7-carboxylate CAS Name: (3S,4aS,7R,8R,10S,10aR)-3-ethenyl-8,10-dihydroxy-3-(hydroxymethyl)-4a,7,10a-trimethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f][1]benzopyran-7-carboxylic acid methyl ester IUPAC Name: methyl (3S,4aS,7R,8R,10S,10aR)-3-ethenyl-8,10-dihydroxy-3-(hydroxymethyl)-4a,7,10a-trimethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene-7-carboxylate Traditional Name: (3S,4aS,7R,8R,10S,10aR)-8,10-dihydroxy-4a,7,10a-trimethyl-3-methylol-3-vinyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene-7-carboxylic acid methyl ester Formula: C21H34O6 MolecularWeight: 382.49106

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC(O2)(CO)C=C)(C(CC(C3(C)C(=O)OC)O)O)C

Isomeric SMILES

C[C@]12CCC3[C@](C1CC[C@@](O2)(CO)C=C)([C@H](C[C@H]([C@]3(C)C(=O)OC)O)O)C

InChI

InChI=1S/C21H34O6/c1-6-21(12-22)10-8-13-18(2,27-21)9-7-14-19(13,3)15(23)11-16(24)20(14,4)17(25)26-5/h6,13-16,22-24H,1,7-12H2,2-5H3/t13?,14?,15-,16+,18-,19-,20+,21+/m0/s1