Vitas-M small molecule compound
methyl (5xi,9xi,18xi)-3-(acetyloxy)-11-oxoolean-12-en-30-oate
Catalog ID
STL564694
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)CCC(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 C33H50O5 MW 526.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H50O5/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/h18,22,24-26H,10-17,19H2,1-9H3/t22?,24?,25?,26?,29-,30+,31+,32-,33-/m1/s1InChIKey
SQKQLNBOGMDCIC-IAHNYMLUSA-NSynonyms
(2S4aS6aS6bR10S12aS14bS)methyl10acetoxy24a6a6b9912aheptamethyl13oxo12344a566a6b788a910111212a12b1314bicosahydropicene2carboxylate
145705535
COC(=O)(C@@)1(C)CC(C@)2((C@H)(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=1SC33H50O5c120(34)3825111231(6)24(28(252)3)101333(8)26(31)23(35)1821221930(527(36)379)151429(224)161732(2133)7h18222426H101719H219H3t22?24?25?26?2930+31+3233m1s1
methyl(2S4aS6aS6bR12aS)10acetyloxy24a6a6b9912aheptamethyl13oxo34566a788a10111214bdodecahydro1Hpicene2carboxylate
methyl(5xi9xi18xi)3(acetyloxy)11oxoolean12en30oate
ZINC000008952008
ZINC000022200393
Check stock
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Check stock on Vitas-MAvailable files
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