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S-[(3S,10R,13R)-10,13-dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] O-phenyl carbonothioate (non-preferred name)

Catalog ID
STL524537
SMILES CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)SC(=O)Oc1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C34H50O2S MW 522.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H50O2S/c1-4-5-6-7-8-10-13-25-17-19-30-29-18-16-26-24-28(37-32(35)36-27-14-11-9-12-15-27)20-22-34(26,3)31(29)21-23-33(25,30)2/h9,11-12,14-16,25,28-31H,4-8,10,13,17-24H2,1-3H3/t25?,28-,29?,30?,31?,33+,34-/m0/s1
InChIKey
XVECFOKIKQREAO-PUTNHYPNSA-N
Synonyms

122170104
CCCCCCCC(C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC=C2(C@)1(C)CC(C@@H)(C2)SC(=O)Oc1ccccc1
InChI=1SC34H50O2Sc145678101325171930291816262428(3732(35)362714119121527)202234(263)31(29)212333(2530)2h911121416252831H4810131724H213H3t25?2829?30?31?33+34m0s1
MFCD01083599
phenyl((3~(S)10~(R)13~(R))1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)sulfanylformate
S((3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)Ophenylcarbonothioate(nonpreferredname)
S((3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)Ophenylcarbonothioate
ZINC000409414593
ZINC000409414597

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Available files

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