Vitas-M small molecule compound
methyl (5xi,9xi,13xi,17xi,18xi)-3-hydroxylup-20(29)-en-28-oate
Catalog ID
STL564993
SMILES COC(=O)C12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)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 C31H50O3 MW 470.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3/t20-,21?,22?,23?,24?,25?,28-,29+,30+,31?/m0/s1InChIKey
XNZIMRUZBOZIBC-ZYMLXJNXSA-NSynonyms
(1R3aS5aR5bR9R11aR13aR)methyl9hydroxy5a5b8811apentamethyl1(prop1en2yl)icosahydro1Hcyclopenta(a)chrysene3acarboxylate
145705565
COC(=O)(C@@)12CC(C@H)(C2(C@@H)2(C@)(CC1)(C)(C@)1(C)CCC3(C@)(C1CC2)(C)CC(C@H)(C3(C)C)O)C(=C)C
InChI=1SC31H50O3c119(2)20111631(26(33)348)181729(6)21(25(20)31)9102328(5)141324(32)27(34)22(28)121530(2329)7h202532H1918H228H3t2021?22?23?24?25?2829+30+31?m0s1
methyl(1R5aR5bR11aR)9hydroxy5a5b8811apentamethyl1prop1en2yl12345677a9101111b121313a13bhexadecahydrocyclopenta(a)chrysene3acarboxylate
methyl(5xi9xi13xi17xi18xi)3hydroxylup20(29)en28oate
ZINC000029463019
ZINC000253598080
Check stock
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