Vitas-M small molecule compound
(5xi,9xi,13xi,17xi,18xi)-28-(acetyloxy)lup-20(29)-en-3-yl methyl butanedioate
Catalog ID
STL527139
SMILES COC(=O)CCC(=O)OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC1(C2[C@@H](CC1)C(=C)C)COC(=O)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 C37H58O6 MW 598.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H58O6/c1-23(2)25-14-19-37(22-42-24(3)38)21-20-35(7)26(32(25)37)10-11-28-34(6)17-16-29(43-31(40)13-12-30(39)41-9)33(4,5)27(34)15-18-36(28,35)8/h25-29,32H,1,10-22H2,2-9H3/t25-,26?,27?,28?,29?,32?,34-,35+,36+,37?/m0/s1InChIKey
QTZICMUAXVGJBF-GIYPRCEVSA-NSynonyms
(1R5aR5bR11aR)3a(acetoxymethyl)5a5b8811apentamethyl1(prop1en2yl)icosahydro1Hcyclopenta(a)chrysen9ylmethylsuccinate
(5xi9xi13xi17xi18xi)28(acetyloxy)lup20(29)en3ylmethylbutanedioate
16397842
4~(O)((1~(R)5~(a)~(R)5~(b)~(R)11~(a)~(R))3~(a)(acetyloxymethyl)5~(a)5~(b)8811~(a)pentamethyl1prop1en2yl12345677~(a)9101111~(b)121313~(a)13~(b)hexadecahydrocyclopenta(a)chrysen9yl)1~(O)methylbutanedioate
COC(=O)CCC(=O)OC1CC(C@)2(C(C1(C)C)CC(C@@)1(C2CCC2(C@@)1(C)CCC1(C2(C@@H)(CC1)C(=C)C)COC(=O)C)C)C
InChI=1SC37H58O6c123(2)25141937(224224(3)38)212035(7)26(32(25)37)10112834(6)171629(4331(40)131230(39)419)33(45)27(34)151836(2835)8h252932H11022H229H3t2526?27?28?29?32?3435+36+37?m0s1
MFCD03267551
ZINC000253506190
ZINC000253506203
Check stock
See real-time availability and sample size for STL527139 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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