Vitas-M small molecule compound
(5xi,9xi,13xi,17xi,18xi,19xi)-3-(carboxyoxy)lup-20(29)-en-28-oic acid
Catalog ID
STL564557
SMILES OC(=O)OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC1(C2C(CC1)C(=C)C)C(=O)O)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 C31H48O5 MW 500.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H48O5/c1-18(2)19-10-15-31(25(32)33)17-16-29(6)20(24(19)31)8-9-22-28(5)13-12-23(36-26(34)35)27(3,4)21(28)11-14-30(22,29)7/h19-24H,1,8-17H2,2-7H3,(H,32,33)(H,34,35)/t19?,20?,21?,22?,23?,24?,28-,29+,30+,31?/m0/s1InChIKey
LAGUCTRANMGUQU-OSGHGBENSA-NSynonyms
(5aR5bR11aR)9carboxyoxy5a5b8811apentamethyl1prop1en2yl12345677a9101111b121313a13bhexadecahydrocyclopenta(a)chrysene3acarboxylicacid
(5xi9xi13xi17xi18xi19xi)3(carboxyoxy)lup20(29)en28oicacid
145705512
InChI=1SC31H48O5c118(2)19101531(25(32)33)171629(6)20(24(19)31)892228(5)131223(3626(34)35)27(34)21(28)111430(2229)7h1924H1817H227H3(H3233)(H3435)t19?20?21?22?23?24?2829+30+31?m0s1
ZINC001848443646
ZINC001848443649
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