Vitas-M small molecule compound
4-oxo-4-{[(5xi,9xi,13xi,17xi,18xi)-28-oxo-19,28-epoxyoleanan-3-yl]oxy}butanoic acid
Catalog ID
STL527077
SMILES OC(=O)CCC(=O)OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC13C2C(OC3=O)C(C)(C)CC1)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 C34H52O6 MW 556.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H52O6/c1-29(2)16-18-34-19-17-32(6)20(26(34)27(29)40-28(34)38)8-9-22-31(5)14-13-23(39-25(37)11-10-24(35)36)30(3,4)21(31)12-15-33(22,32)7/h20-23,26-27H,8-19H2,1-7H3,(H,35,36)/t20?,21?,22?,23?,26?,27?,31-,32+,33+,34?/m0/s1InChIKey
TWGOHGMLYBHACF-NCTHIFAQSA-NSynonyms
16397843
4(((4~(R)5~(R)13~(R))4599132020heptamethyl23oxo24oxahexacyclo(17320^(118)0^(417)0^(514)0^(813))tetracosan10yl)oxy)4oxobutanoicacid
4(((6aR6bR12aR)226a6b9912aheptamethyl15oxoicosahydro1H14a(epoxymethano)picen10yl)oxy)4oxobutanoicacid
4oxo4(((5xi9xi13xi17xi18xi)28oxo1928epoxyoleanan3yl)oxy)butanoicacid
InChI=1SC34H52O6c129(2)161834191732(6)20(26(34)27(29)4028(34)38)892231(5)141323(3925(37)111024(35)36)30(34)21(31)121533(2232)7h20232627H819H217H3(H3536)t20?21?22?23?26?27?3132+33+34?m0s1
MFCD03267552
OC(=O)CCC(=O)OC1CC(C@)2(C(C1(C)C)CC(C@@)1(C2CCC2(C@@)1(C)CCC13C2C(OC3=O)C(C)(C)CC1)C)C
ZINC000253387809
ZINC000253387812
Check stock
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Check stock on Vitas-MAvailable files
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