Vitas-M small molecule compound

(5xi,9xi,13xi,17xi,18xi,19xi)-lup-20(29)-en-3-ol

Catalog ID
STL564743
SMILES CC(=C)C1CCC2(C1C1CCC3[C@@]([C@]1(C)CC2)(C)CCC1[C@]3(C)CCC(C1(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 C30H50O MW 426.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20?,21?,22?,23?,24?,25?,27?,28-,29+,30+/m0/s1
InChIKey
MQYXUWHLBZFQQO-AKRIEJOQSA-N
Synonyms

(1R3aR5aR5bR9S11aR13aR)3a5a5b8811ahexamethyl1(prop1en2yl)icosahydro1Hcyclopenta(a)chrysen9ol
(5aR5bR11aR)3a5a5b8811ahexamethyl1prop1en2yl12345677a9101111b121313a13bhexadecahydrocyclopenta(a)chrysen9ol
(5xi9xi13xi17xi18xi19xi)lup20(29)en3ol
145705539
CC(=C)(C@@H)1CC(C@)2(C1(C@H)1CCC3(C@@)((C@)1(C)CC2)(C)CCC1(C@)3(C)CC(C@@H)(C1(C)C)O)C
InChI=1SC30H50Oc119(2)20111427(5)171829(7)21(25(20)27)9102328(6)151324(31)26(34)22(28)121630(2329)8h202531H1918H228H3t20?21?22?23?24?25?27?2829+30+m0s1
ZINC000004081453
ZINC000253498702

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Available files

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