Vitas-M small molecule compound
(8xi,14xi,17alpha)-3-[(2,6-dideoxy-3,4-O-ethylidenehexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
Catalog ID
STL537609
SMILES O=C[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)OC1OC(C)C2C(C1)OC(O2)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/c1-17-27-24(38-18(2)39-27)13-26(37-17)40-20-4-9-29(16-32)22-5-8-28(3)21(19-12-25(33)36-15-19)7-11-31(28,35)23(22)6-10-30(29,34)14-20/h12,16-18,20-24,26-27,34-35H,4-11,13-15H2,1-3H3/t17?,18?,20?,21-,22-,23?,24?,26?,27?,28+,29-,30?,31?/m0/InChIKey
RRGPUUFGJJYJRK-IJQQRJFCSA-NSynonyms
(3S5S8R9S10S13R14S17R)3(((2R3aR4R6R7aS)24dimethyltetrahydro3aH(13)dioxolo(45c)pyran6yl)oxy)514dihydroxy13methyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthrene10carbaldehyde
(8xi14xi17alpha)3((26dideoxy34Oethylidenehexopyranosyl)oxy)514dihydroxy19oxocard20(22)enolide
(9~(S)10~(S)13~(R)17~(S))3((24dimethyl4677~(a)tetrahydro3~(a)~(H)(13)dioxolo(45c)pyran6yl)oxy)514dihydroxy13methyl17(5oxo2~(H)furan3yl)23467891112151617dodecahydro1~(H)cyclopenta(a)phenanthrene10carbaldehyde
135639492
InChI=1SC31H44O9c1172724(3818(2)3927)1326(3717)40204929(1632)225828(3)21(191225(33)361519)71131(2835)23(22)61030(2934)1420h121618202426273435H4111315H213H3t17?18?20?212223?24?26?27?28+2930?31?m0s1
MFCD03662160
O=C(C@@)12CC(C@@H)(C(C@@)2(O)CC(C@@H)2(C@@H)1CC(C@)1((C@)2(O)CC(C@@H)1C1=CC(=O)OC1)C)OC1OC(C)C2C(C1)OC(O2)C
ZINC001772492594
ZINC001772492597
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