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(5R,10S,13S,17S)-17-ethynyl-10,13-dimethyl-1-methylsulfonyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol

(5R,10S,13S,17S)-17-ethynyl-10,13-dimethyl-1-methylsulfonyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol

Systemtic Name:(5R,10S,13S,17S)-17-ethynyl-10,13-dimethyl-1-methylsulfonyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
Openeye Name:(5R,10S,13S,17S)-17-ethynyl-10,13-dimethyl-1-methylsulfonyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
CAS Name:(5R,10S,13S,17S)-17-ethynyl-10,13-dimethyl-1-methylsulfonyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
IUPAC Name:(5R,10S,13S,17S)-17-ethynyl-10,13-dimethyl-1-methylsulfonyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
Traditional Name:(5R,10S,13S,17S)-17-ethynyl-1-mesyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
Formula: C22H34O3S
MolecularWeight: 378.56856
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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2(C#C)O)CCC4C3(C(CCC4)S(=O)(=O)C)C


Isomeric SMILES

C[C@]12CCC3C(C1CC[C@@]2(C#C)O)CC[C@@H]4[C@@]3(C(CCC4)S(=O)(=O)C)C


InChI

InChI=1S/C22H34O3S/c1-5-22(23)14-12-17-16-10-9-15-7-6-8-19(26(4,24)25)21(15,3)18(16)11-13-20(17,22)2/h1,15-19,23H,6-14H2,2-4H3/t15-,16?,17?,18?,19?,20+,21+,22-/m1/s1


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