Vitas-M small molecule compound

(5xi,9xi,18xi)-3-[(2-deoxyhexopyranosyl)oxy]-11-oxoolean-12-en-30-oic acid

Catalog ID
STL565467
SMILES OCC1OC(CC(C1O)O)OC1CC[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 C36H56O8 MW 616.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H56O8/c1-31(2)25-8-11-36(7)29(34(25,5)10-9-26(31)44-27-17-22(38)28(40)24(19-37)43-27)23(39)16-20-21-18-33(4,30(41)42)13-12-32(21,3)14-15-35(20,36)6/h16,21-22,24-29,37-38,40H,8-15,17-19H2,1-7H3,(H,41,42)/t21?,22?,24?,25?,26?,27?,28?,29?,32-,33+
InChIKey
PFEQIEUTCKQPGL-ZQQYFJIXSA-N
Synonyms

(2S4aS6aS6bR12aS)10(((2R4R5R6R)45dihydroxy6(hydroxymethyl)tetrahydro2Hpyran2yl)oxy)24a6a6b9912aheptamethyl13oxo12344a566a6b788a910111212a12b1314bicosahydropicene2carboxylicacid
(2S4aS6aS6bR12aS)10(45dihydroxy6(hydroxymethyl)oxan2yl)oxy24a6a6b9912aheptamethyl13oxo34566a788a10111214bdodecahydro1Hpicene2carboxylicacid
(5xi9xi18xi)3((2deoxyhexopyranosyl)oxy)11oxoolean12en30oicacid
44662745
InChI=1SC36H56O8c131(2)2581136(7)29(34(255)10926(31)44271722(38)28(40)24(1937)4327)23(39)1620211833(430(41)42)131232(213)141535(2036)6h1621222429373840H8151719H217H3(H4142)t21?22?24?25?26?27?28?29?3233+34+3536m1s1
OCC1OC(CC(C1O)O)OC1CC(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
ZINC000253487740
ZINC000253487743

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Available files

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