Vitas-M small molecule compound
methyl (3beta,5xi,9xi)-3-(acetyloxy)-11-oxooleana-12,18-dien-30-oate
Catalog ID
STL525443
SMILES COC(=O)[C@@]1(C)CC[C@]2(C(=C1)C1=CC(=O)C3[C@@]([C@@]1(CC2)C)(C)CCC1[C@]3(C)CC[C@@H](C1(C)C)OC(=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 C33H48O5 MW 524.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H48O5/c1-20(34)38-25-11-12-31(6)24(28(25,2)3)10-13-33(8)26(31)23(35)18-21-22-19-30(5,27(36)37-9)15-14-29(22,4)16-17-32(21,33)7/h18-19,24-26H,10-17H2,1-9H3/t24?,25-,26?,29+,30-,31-,32+,33+/m0/s1InChIKey
WLYQWRSVIUXFMI-IXRNJNHDSA-NSynonyms
(2S4aS6aS6bR10S12aS)methyl10acetoxy24a6a6b9912aheptamethyl13oxo2344a566a6b788a910111212a12b13octadecahydropicene2carboxylate
16396538
COC(=O)(C@@)1(C)CC(C@)2(C(=C1)C1=CC(=O)C3(C@@)((C@@)1(CC2)C)(C)CCC1(C@)3(C)CC(C@@H)(C1(C)C)OC(=O)C)C
InChI=1SC33H48O5c120(34)3825111231(6)24(28(252)3)101333(8)26(31)23(35)1821221930(527(36)379)151429(224)161732(2133)7h18192426H1017H219H3t24?2526?29+303132+33+m0s1
methyl(2~(S)4~(a)~(S)6~(a)~(S)6~(b)~(R)10~(S)12~(a)~(S))10acetyloxy24~(a)6~(a)6~(b)9912~(a)heptamethyl13oxo4566~(a)788~(a)101112decahydro3~(H)picene2carboxylate
methyl(3beta5xi9xi)3(acetyloxy)11oxooleana1218dien30oate
MFCD01881532
ZINC000012658654
ZINC000012658662
Check stock
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Check stock on Vitas-MAvailable files
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