Vitas-M small molecule compound
(5xi,9xi,18alpha)-3,11-dioxoolean-12-en-30-oic acid
Catalog ID
STL564538
SMILES O=C1C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@]2([C@]2(C1[C@@]1(C)CCC(=O)C(C1CC2)(C)C)C)C)C(=O)O
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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 C30H44O4 MW 468.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H44O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21,23H,8-15,17H2,1-7H3,(H,33,34)/t19-,21?,23?,26-,27+,28+,29-,30-/m1/s1InChIKey
QGWDYPREORDRIT-XYMLVXMESA-NSynonyms
(2S4aS6aS6bR12aS14bR)24a6a6b9912aheptamethyl1013dioxo12344a566a6b788a910111212a12b1314bicosahydropicene2carboxylicacid
(2S4aS6aS6bR12aS14bS)24a6a6b9912aheptamethyl1013dioxo134566a788a111214bdodecahydropicene2carboxylicacid
(5xi9xi18alpha)311dioxoolean12en30oicacid
60103590
InChI=1SC30H44O4c125(2)2181130(7)23(28(215)10922(25)32)20(31)1618191727(424(33)34)131226(193)141529(1830)6h16192123H81517H217H3(H3334)t1921?23?2627+28+2930m1s1
O=C1C=C2(C@@H)3C(C@)(C)(CC(C@)3(C)CC(C@)2((C@)2(C1(C@@)1(C)CCC(=O)C(C1CC2)(C)C)C)C)C(=O)O
ZINC000004430007
ZINC000100042996
Check stock
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Check stock on Vitas-MAvailable files
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