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(3beta,5xi,9xi,13xi,18xi)-28-(acetyloxy)lup-20(29)-en-3-yl (2E)-3-[3,4-bis(acetyloxy)phenyl]prop-2-enoate

Catalog ID
STL528938
SMILES CC(=O)OC[C@@]12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CC[C@@H](C3(C)C)OC(=O)/C=C/c1ccc(c(c1)OC(=O)C)OC(=O)C)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 C45H62O8 MW 730.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H62O8/c1-27(2)32-17-22-45(26-50-28(3)46)24-23-43(9)33(40(32)45)13-15-37-42(8)20-19-38(41(6,7)36(42)18-21-44(37,43)10)53-39(49)16-12-31-11-14-34(51-29(4)47)35(25-31)52-30(5)48/h11-12,14,16,25,32-33,36-38,40H,1,13,15,17-24,26H2,2-10H3/b16-12+/t3
InChIKey
RLTNPSUYHTVNOC-PGIDBGDBSA-N
Synonyms

((1~(R)3~(a)~(S)5~(a)~(R)5~(b)~(R)9~(S)11~(a)~(R))3~(a)(acetyloxymethyl)5~(a)5~(b)8811~(a)pentamethyl1prop1en2yl12345677~(a)9101111~(b)121313~(a)13~(b)hexadecahydrocyclopenta(a)chrysen9yl)(~(E))3(34diacetyloxyphenyl)prop2enoate
(3beta5xi9xi13xi18xi)28(acetyloxy)lup20(29)en3yl(2E)3(34bis(acetyloxy)phenyl)prop2enoate
16404870
4((E)3(((1R3aS5aR5bR9S11aR)3a(acetoxymethyl)5a5b8811apentamethyl1(prop1en2yl)icosahydro1Hcyclopenta(a)chrysen9yl)oxy)3oxoprop1en1yl)12phenylenediacetate
CC(=O)OC(C@@)12CC(C@H)(C2C2(C@)(CC1)(C)(C@)1(C)CCC3(C@)(C1CC2)(C)CC(C@@H)(C3(C)C)OC(=O)C=Cc1ccc(c(c1)OC(=O)C)OC(=O)C)C(=C)C
InChI=1SC45H62O8c127(2)32172245(265028(3)46)242343(9)33(40(32)45)13153742(8)201938(41(67)36(42)182144(3743)10)5339(49)161231111434(5129(4)47)35(2531)5230(5)48h11121416253233363840H11315172426H2210H3b1612+t3233?36?37?3840?4243+44+45+m0s1
MFCD05728783
ZINC000253522783
ZINC000253522786

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Available files

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