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(3R,10S,13S)-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 (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 (2E)-2,3-dime

Catalog ID
STL529479
SMILES CCCCCCCCC1CCC2[C@@]1(C)CCC1C2CC=C2[C@@]1(C)CC[C@H](C2)OC(=O)/C(=C(/C(=O)O[C@H]1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2CCCCCCCC)C)C1)C)\C)/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 C60H96O4 MW 881.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C60H96O4/c1-9-11-13-15-17-19-21-43-25-29-51-49-27-23-45-39-47(31-35-59(45,7)53(49)33-37-57(43,51)5)63-55(61)41(3)42(4)56(62)64-48-32-36-60(8)46(40-48)24-28-50-52-30-26-44(22-20-18-16-14-12-10-2)58(52,6)38-34-54(50)60/h23-24,43-44,47-54H,9-22,25-4
InChIKey
LMRLDJDATYPZAG-QJADOLIRSA-N
Synonyms

(3R10S13S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl(3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl(2E)23dime
1~(O)((3~(S)10~(R)13~(R))1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)4~(O)((3~(R)10~(S)13~(S))1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)(~(E))23dimethylbut2enedioate
44663114
CCCCCCCCC1CCC2(C@@)1(C)CCC1C2CC=C2(C@@)1(C)CC(C@H)(C2)OC(=O)C(=C(C(=O)O(C@H)1CC(C@)2(C(=CC(C@@H)3(C@@H)2CC(C@)2((C@H)3CC(C@@H)2CCCCCCCC)C)C1)C)C)C
ECAHYDRO1HCYCLOPENTA(A)PHENANTHREN3YL(2E)23DIME
InChI=1SC60H96O4c1911131517192143252951492723453947(313559(457)53(49)333757(4351)5)6355(61)41(3)42(4)56(62)6448323660(8)46(4048)24285052302644(222018161412102)58(526)383454(50)60h232443444754H9222540H218H3b4241+t43?44?4748+49?50?51?52?53?54?57+585960
MFCD01547204
ZINC000253505768
ZINC000253505778

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Available files

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