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(1R,3aS,5aR,5bR,9S,11aR,13aR)-1-acetyl-3a-[(acetyloxy)methyl]-5a,5b,8,8,11a-pentamethylicosahydro-1H-cyclopenta[a]chrysen-9-yl acetate

Catalog ID
STL540235
SMILES CC(=O)OC[C@@]12CC[C@H](C2[C@@H]2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CC[C@@H](C3(C)C)OC(=O)C)C(=O)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 C33H52O5 MW 528.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H52O5/c1-20(34)23-11-16-33(19-37-21(2)35)18-17-31(7)24(28(23)33)9-10-26-30(6)14-13-27(38-22(3)36)29(4,5)25(30)12-15-32(26,31)8/h23-28H,9-19H2,1-8H3/t23-,24+,25?,26?,27-,28?,30-,31+,32+,33+/m0/s1
InChIKey
JAEKBCRKZGHQAY-MDDZHKFGSA-N
Synonyms

((1~(R)3~(a)~(S)5~(a)~(R)5~(b)~(R)9~(S)11~(a)~(R)13~(a)~(R))1acetyl9acetyloxy5~(a)5~(b)8811~(a)pentamethyl12345677~(a)9101111~(b)121313~(a)13~(b)hexadecahydrocyclopenta(a)chrysen3~(a)yl)methylacetate
((1R3aS5aR5bR9S11aR13aR)9acetoxy1acetyl5a5b8811apentamethylicosahydro1Hcyclopenta(a)chrysen3ayl)methylacetate
(1R3aS5aR5bR9S11aR13aR)1acetyl3a((acetyloxy)methyl)5a5b8811apentamethylicosahydro1Hcyclopenta(a)chrysen9ylacetate
16400667
CC(=O)OC(C@@)12CC(C@H)(C2(C@@H)2(C@)(CC1)(C)(C@)1(C)CCC3(C@)(C1CC2)(C)CC(C@@H)(C3(C)C)OC(=O)C)C(=O)C
InChI=1SC33H52O5c120(34)23111633(193721(2)35)181731(7)24(28(23)33)9102630(6)141327(3822(3)36)29(45)25(30)121532(2631)8h2328H919H218H3t2324+25?26?2728?3031+32+33+m0s1
MFCD05671801
ZINC000070687648
ZINC000253498660

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Available files

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