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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] 2-phenoxypropanethioate (non-preferred name)

Catalog ID
STL525925
SMILES CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)SC(=O)C(Oc1ccccc1)C

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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 C36H54O2S MW 550.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H54O2S/c1-5-6-7-8-9-11-14-27-18-20-32-31-19-17-28-25-30(21-23-36(28,4)33(31)22-24-35(27,32)3)39-34(37)26(2)38-29-15-12-10-13-16-29/h10,12-13,15-17,26-27,30-33H,5-9,11,14,18-25H2,1-4H3/t26?,27?,30-,31?,32?,33?,35+,36-/m0/s1
InChIKey
IGWBMSNTXOWCIT-QCQPXGENSA-N
Synonyms

~(S)((3~(S)10~(R)13~(R))1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)2phenoxypropanethioate
44664187
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)C(Oc1ccccc1)C
InChI=1SC36H54O2Sc156789111427182032311917282530(212336(284)33(31)222435(2732)3)3934(37)26(2)3829151210131629h101213151726273033H5911141825H214H3t26?27?3031?32?33?35+36m0s1
MFCD01083537
S((3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)2phenoxypropanethioate(nonpreferredname)
S((3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)2phenoxypropanethioate
ZINC000253502535
ZINC000253502548

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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