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(4aR,6aR)-4a,6a-dimethyl-8-(6-methylheptan-2-yl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11-hexadecahydrochrysen-2-yl [(4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetate

Catalog ID
STL525888
SMILES CC(CCCC(C1CCC2[C@](C1)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)COc1ccc2c(c1)oc(=O)c1c2CCC1)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 C42H58O5 MW 642.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H58O5/c1-26(2)8-6-9-27(3)28-12-17-36-35-15-13-29-22-31(18-21-42(29,5)37(35)19-20-41(36,4)24-28)46-39(43)25-45-30-14-16-33-32-10-7-11-34(32)40(44)47-38(33)23-30/h13-14,16,23,26-28,31,35-37H,6-12,15,17-22,24-25H2,1-5H3/t27?,28?,31?,35?,36?,37?,4
InChIKey
VIKYFKUAEOHRLU-OEAJQCBRSA-N
Synonyms

((4~(a)~(R)6~(a)~(R))4~(a)6~(a)dimethyl8(6methylheptan2yl)12344~(b)567891010~(a)10~(b)11tetradecahydrochrysen2yl)2((4oxo23dihydro1~(H)cyclopenta(c)chromen7yl)oxy)acetate
(4aR6aR)4a6adimethyl8(6methylheptan2yl)12344a4b566a7891010a10b11hexadecahydrochrysen2yl((4oxo1234tetrahydrocyclopenta(c)chromen7yl)oxy)acetate
(4aR6aR)4a6adimethyl8(6methylheptan2yl)12344a4b566a7891010a10b11hexadecahydrochrysen2yl2((4oxo1234tetrahydrocyclopenta(c)chromen7yl)oxy)acetate
16396041
CC(CCCC(C1CCC2(C@)(C1)(C)CCC1C2CC=C2(C@)1(C)CCC(C2)OC(=O)COc1ccc2c(c1)oc(=O)c1c2CCC1)C)C
InChI=1SC42H58O5c126(2)86927(3)28121736351513292231(182142(295)37(35)192041(364)2428)4639(43)254530141633321071134(32)40(44)4738(33)2330h131416232628313537H6121517222425H215H3t27?28?31?35?36?37?4142+m1s1
MFCD01547428
ZINC000070665860
ZINC000253387826

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Available files

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