1-[(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3-(oxan-2-yloxy)-17-oxidanyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanyl-ethanone

Systemtic Name: 1-[(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3-(oxan-2-yloxy)-17-oxidanyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanyl-ethanone Openeye Name: 2-hydroxy-1-[(3S,8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-tetrahydropyran-2-yloxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone CAS Name: 2-hydroxy-1-[(3S,8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-(2-oxanyloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone IUPAC Name: 2-hydroxy-1-[(3S,8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone Traditional Name: 2-hydroxy-1-[(3S,8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-tetrahydropyran-2-yloxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone Formula: C26H40O5 MolecularWeight: 432.5928

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1=CCC3C2CCC4(C3CCC4(C(=O)CO)O)C)OC5CCCCO5

Isomeric SMILES

C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)OC5CCCCO5

InChI

InChI=1S/C26H40O5/c1-24-11-8-18(31-23-5-3-4-14-30-23)15-17(24)6-7-19-20(24)9-12-25(2)21(19)10-13-26(25,29)22(28)16-27/h6,18-21,23,27,29H,3-5,7-16H2,1-2H3/t18-,19+,20-,21-,23?,24-,25-,26-/m0/s1