Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi,17xi)-3-[(6-deoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxy-19-oxobufa-20,22-dienolide
Catalog ID
STL564927
SMILES COC1C(O)C(OC2CC[C@]3([C@H](C2)CCC2C3CC[C@]3(C2(O)CCC3c2ccc(=O)oc2)C)C=O)OC(C1O)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 C31H44O9 MW 560.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H44O9/c1-17-25(34)27(37-3)26(35)28(39-17)40-20-8-12-30(16-32)19(14-20)5-6-23-22(30)9-11-29(2)21(10-13-31(23,29)36)18-4-7-24(33)38-15-18/h4,7,15-17,19-23,25-28,34-36H,5-6,8-14H2,1-3H3/t17?,19-,20?,21?,22?,23?,25?,26?,27?,28?,29+,30+,31?/m0/s1InChIKey
NYOVJCZRJINYSI-MKTHFNAYSA-NSynonyms
(3S5S8R10R13R14S17R)3(((2R3S4R5S6S)35dihydroxy4methoxy6methyltetrahydro2Hpyran2yl)oxy)14hydroxy13methyl17(2oxo2Hpyran5yl)hexadecahydro1Hcyclopenta(a)phenanthrene10carbaldehyde
(5alpha8xi9xi14xi17xi)3((6deoxy3Omethylhexopyranosyl)oxy)14hydroxy19oxobufa2022dienolide
(5S10R13R)3(35dihydroxy4methoxy6methyloxan2yl)oxy14hydroxy13methyl17(6oxopyran3yl)1234567891112151617tetradecahydrocyclopenta(a)phenanthrene10carbaldehyde
139291988
COC1C(O)C(O(C@H)2CC(C@)3((C@H)(C2)CC(C@@H)2C3CC(C@)3((C@)2(O)CC(C@@H)3c2ccc(=O)oc2)C)C=O)OC(C1O)C
InChI=1SC31H44O9c11725(34)27(373)26(35)28(3917)402081230(1632)19(1420)562322(30)91129(2)21(101331(2329)36)184724(33)381518h471517192325283436H56814H213H3t17?1920?21?22?23?25?26?27?28?29+30+31?m0s1
ZINC001848443794
ZINC001848443797
Check stock
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Check stock on Vitas-MAvailable files
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