Vitas-M small molecule compound
(3beta,5xi,9xi,18xi)-3-(acetyloxy)-11-oxoolean-12-en-30-oic acid
Catalog ID
STL564634
SMILES CC(=O)O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]1(C2C(=O)C=C2[C@@]1(C)CC[C@@]1(C2C[C@](C)(CC1)C(=O)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 C32H48O5 MW 512.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21?,23?,24-,25?,28+,29-,30-,31+,32+/m0/s1InChIKey
FTQDJVZNPJRVPG-PPPKKFIDSA-NSynonyms
(2S4aS6aS6bR10S12aS)10acetyloxy24a6a6b9912aheptamethyl13oxo34566a788a10111214bdodecahydro1Hpicene2carboxylicacid
(2S4aS6aS6bR10S12aS14bS)10acetoxy24a6a6b9912aheptamethyl13oxo12344a566a6b788a910111212a12b1314bicosahydropicene2carboxylicacid
(3beta5xi9xi18xi)3(acetyloxy)11oxoolean12en30oicacid
45024399
ACETYLENOXOLONE
CC(=O)O(C@H)1CC(C@)2(C(C1(C)C)CC(C@@)1(C2C(=O)C=C2(C@@)1(C)CC(C@@)1((C@@H)2C(C@)(C)(CC1)C(=O)O)C)C)C
InChI=1SC32H48O5c119(33)3724101130(6)23(27(242)3)91232(8)25(30)22(34)1720211829(526(35)36)141328(214)151631(2032)7h17212325H91618H218H3(H3536)t21?23?2425?28+293031+32+m0s1
ZINC000008952314
ZINC000034169083
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.