(2S,3S,5R)-2-[(1S)-1-[(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-methyl-oxolan-3-ol

Systemtic Name: (2S,3S,5R)-2-[(1S)-1-[(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-methyl-oxolan-3-ol Openeye Name: (2S,3S,5R)-2-[(1S)-1-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-methyl-tetrahydrofuran-3-ol CAS Name: (2S,3S,5R)-2-[(1S)-1-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-methyl-3-oxolanol IUPAC Name: (2S,3S,5R)-2-[(1S)-1-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-methyloxolan-3-ol Traditional Name: (2S,3S,5R)-2-[(1S)-1-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-methyl-tetrahydrofuran-3-ol Formula: C26H42O3 MolecularWeight: 402.60988

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(O1)C(C)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C)O

Isomeric SMILES

C[C@@H]1C[C@@H]([C@@H](O1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)O

InChI

InChI=1S/C26H42O3/c1-15-13-23(28)24(29-15)16(2)20-7-8-21-19-6-5-17-14-18(27)9-11-25(17,3)22(19)10-12-26(20,21)4/h5,15-16,18-24,27-28H,6-14H2,1-4H3/t15-,16+,18+,19+,20-,21+,22+,23+,24+,25+,26-/m1/s1