Vitas-M small molecule compound
(3beta,5xi,9xi)-3-(hydroxymethoxy)-11-oxooleana-12,18-dien-30-oic acid
Catalog ID
STL525549
SMILES OCO[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]1(C2C(=O)C=C2[C@@]1(C)CC[C@@]1(C2=C[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 C31H46O5 MW 498.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H46O5/c1-26(2)22-8-11-31(7)24(29(22,5)10-9-23(26)36-18-32)21(33)16-19-20-17-28(4,25(34)35)13-12-27(20,3)14-15-30(19,31)6/h16-17,22-24,32H,8-15,18H2,1-7H3,(H,34,35)/t22?,23-,24?,27+,28-,29-,30+,31+/m0/s1InChIKey
YUPJVLIAKAOESJ-KENXXGPBSA-NSynonyms
(2~(S)4~(a)~(S)6~(a)~(S)6~(b)~(R)10~(S)12~(a)~(S))10(hydroxymethoxy)24~(a)6~(a)6~(b)9912~(a)heptamethyl13oxo4566~(a)788~(a)101112decahydro3~(H)picene2carboxylicacid
(2S4aS6aS6bR10S12aS)10(hydroxymethoxy)24a6a6b9912aheptamethyl13oxo2344a566a6b788a910111212a12b13octadecahydropicene2carboxylicacid
(3beta5xi9xi)3(hydroxymethoxy)11oxooleana1218dien30oicacid
16396477
InChI=1SC31H46O5c126(2)2281131(7)24(29(225)10923(26)361832)21(33)1619201728(425(34)35)131227(203)141530(1931)6h1617222432H81518H217H3(H3435)t22?2324?27+282930+31+m0s1
MFCD01881144
OCO(C@H)1CC(C@)2(C(C1(C)C)CC(C@@)1(C2C(=O)C=C2(C@@)1(C)CC(C@@)1(C2=C(C@)(C)(CC1)C(=O)O)C)C)C
ZINC000008762099
ZINC000012658509
Check stock
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Check stock on Vitas-MAvailable files
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