Vitas-M small molecule compound

(8xi,9xi,14xi,17xi)-3-[(6-deoxy-4-O-hexopyranosylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide

Catalog ID
STL566332
SMILES OCC1OC(OC2C(C)OC(C(C2O)O)OC2CC[C@]3(C(C2)(O)CCC2C3CC[C@]3(C2(O)CCC3C2=CC(=O)OC2)C)C=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 C35H52O15 MW 712.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H52O15/c1-16-29(50-31-27(42)25(40)24(39)22(13-36)49-31)26(41)28(43)30(47-16)48-18-3-8-33(15-37)20-4-7-32(2)19(17-11-23(38)46-14-17)6-10-35(32,45)21(20)5-9-34(33,44)12-18/h11,15-16,18-22,24-31,36,39-45H,3-10,12-14H2,1-2H3/t16?,18?,19?,20?,21?,2
InChIKey
CAYUJEAJKPLCAV-PSNJDNRVSA-N
Synonyms

(10S13R)3(34dihydroxy6methyl5(345trihydroxy6(hydroxymethyl)oxan2yl)oxyoxan2yl)oxy514dihydroxy13methyl17(5oxo2Hfuran3yl)23467891112151617dodecahydro1Hcyclopenta(a)phenanthrene10carbaldehyde
(8xi9xi14xi17xi)3((6deoxy4Ohexopyranosylhexopyranosyl)oxy)514dihydroxy19oxocard20(22)enolide
145705600
InChI=1SC35H52O15c11629(503127(42)25(40)24(39)22(1336)4931)26(41)28(43)30(4716)48183833(1537)204732(2)19(171123(38)461417)61035(3245)21(20)5934(3344)1218h11151618222431363945H3101214H212H3t16?18?19?20?21?22?24?25?26?27?28?29?30?31?3233+34?35?m1s1
OC(C@H)1OC(OC2(C@H)(C)O(C@H)((C@@H)((C@@H)2O)O)O(C@H)2CC(C@)3((C@)(C2)(O)CC(C@@H)2(C@@H)3CC(C@)3((C@)2(O)CC(C@@H)3C2=CC(=O)OC2)C)C=O)(C@@H)((C@H)((C@@H)1O)O)O
ZINC001848443828
ZINC001848443831

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Available files

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