(8S,9S,10R,11S,13S,14S,17R)-17-(2-hydroxyethyl)-10-methyl-6,11-bis(oxidanyl)-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde

Systemtic Name: (8S,9S,10R,11S,13S,14S,17R)-17-(2-hydroxyethyl)-10-methyl-6,11-bis(oxidanyl)-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde Openeye Name: (8S,9S,10R,11S,13S,14S,17R)-6,11-dihydroxy-17-(2-hydroxyethyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde CAS Name: (8S,9S,10R,11S,13S,14S,17R)-6,11-dihydroxy-17-(2-hydroxyethyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carboxaldehyde IUPAC Name: (8S,9S,10R,11S,13S,14S,17R)-6,11-dihydroxy-17-(2-hydroxyethyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde Traditional Name: (8S,9S,10R,11S,13S,14S,17R)-6,11-dihydroxy-17-(2-hydroxyethyl)-3-keto-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde Formula: C21H30O5 MolecularWeight: 362.4599

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1C(CC3C2C(CC4(C3CCC4CCO)C=O)O)O

Isomeric SMILES

C[C@]12CCC(=O)C=C1C(C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4CCO)C=O)O)O

InChI

InChI=1S/C21H30O5/c1-20-6-4-13(24)8-16(20)17(25)9-14-15-3-2-12(5-7-22)21(15,11-23)10-18(26)19(14)20/h8,11-12,14-15,17-19,22,25-26H,2-7,9-10H2,1H3/t12-,14+,15+,17?,18+,19-,20+,21+/m1/s1