Vitas-M small molecule compound

6-O-hexopyranosyl-1-O-[(5xi,9xi,17xi,18xi)-28-oxo-3-{[pentopyranosyl-(1->3)-6-deoxyhexopyranosyl-(1->2)pentopyranosyl]oxy}olean-12-en-28-yl]hexopyranose

Catalog ID
STL564465
SMILES OCC1OC(OCC2OC(OC(=O)C34CC[C@@]5(C(=CCC6[C@@]5(C)CCC5[C@]6(C)CCC(C5(C)C)OC5OCC(C(C5OC5OC(C)C(C(C5O)OC5OCC(C(C5O)O)O)O)O)O)C4CC(CC3)(C)C)C)C(C(C2O)O)O)C(C(C1O)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 C58H94O25 MW 1191.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C58H94O25/c1-24-34(62)45(81-48-41(69)35(63)27(60)21-74-48)44(72)50(77-24)82-46-36(64)28(61)22-75-51(46)80-33-12-13-55(6)31(54(33,4)5)11-14-57(8)32(55)10-9-25-26-19-53(2,3)15-17-58(26,18-16-56(25,57)7)52(73)83-49-43(71)40(68)38(66)30(79-49)23-76-4
InChIKey
BGKLFKHHSFCDKC-KPHKKTKMSA-N
Synonyms
94483-11-1
(345trihydroxy6((345trihydroxy6(hydroxymethyl)oxan2yl)oxymethyl)oxan2yl)(6aS6bR12aR)10(3(35dihydroxy6methyl4(345trihydroxyoxan2yl)oxyoxan2yl)oxy45dihydroxyoxan2yl)oxy226a6b9912aheptamethyl134566a788a1011121314btetradecahydropicene4acarboxylate
44661022
6Ohexopyranosyl1O((5xi9xi17xi18xi)28oxo3((pentopyranosyl(1>3)6deoxyhexopyranosyl(1>2)pentopyranosyl)oxy)olean12en28yl)hexopyranose
6OHEXOPYRANOSYL1O((5XI9XI17XI18XI)28OXO3((PENTOPYRANOSYL(13)6DEOXYHEXOPYRANOSYL(12)PENTOPYRANOSYL)OXY)OLEAN12EN28YL)HEXOPYRANOSE
94483111
FOETOSIDEC
InChI=1SC58H94O25c12434(62)45(814841(69)35(63)27(60)217448)44(72)50(7724)824636(64)28(61)227551(46)8033121355(6)31(54(334)5)111457(8)32(55)10925261953(23)151758(26181656(2557)7)52(73)834943(71)40(68)38(66)30(7949)23764742(70)39(67)37(65)29(2059)7847h
OCC1OC(OCC2OC(OC(=O)(C@)34CC(C@@)5(C(=CCC6(C@@)5(C)CCC5(C@)6(C)CCC(C5(C)C)OC5OCC(C(C5OC5OC(C)C(C(C5O)OC5OCC(C(C5O)O)O)O)O)O)C4CC(CC3)(C)C)C)C(C(C2O)O)O)C(C(C1O)O)O

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.