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Vitas-M small molecule compound

(8xi,9xi,14xi,17xi)-3,19-bis[(3-carboxypropanoyl)oxy]-5,14-dihydroxycard-20(22)-enolide

Catalog ID
STL565457
SMILES OC(=O)CCC(=O)OC[C@@]12CCC(CC2(O)CCC2C1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)OC(=O)CCC(=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 C31H42O12 MW 606.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H42O12/c1-28-10-7-21-22(31(28,40)13-9-20(28)18-14-27(38)41-16-18)8-12-30(39)15-19(43-26(37)5-3-24(34)35)6-11-29(21,30)17-42-25(36)4-2-23(32)33/h14,19-22,39-40H,2-13,15-17H2,1H3,(H,32,33)(H,34,35)/t19?,20?,21?,22?,28-,29+,30?,31?/m1/s1
InChIKey
PORLQGCIBQPFNX-ZMOWJJMOSA-N
Synonyms

(8xi9xi14xi17xi)319bis((3carboxypropanoyl)oxy)514dihydroxycard20(22)enolide
4(((10R13R)3(3carboxypropanoyloxy)514dihydroxy13methyl17(5oxo2Hfuran3yl)23467891112151617dodecahydro1Hcyclopenta(a)phenanthren10yl)methoxy)4oxobutanoicacid
4(((3S5S8S9R10R13R14S17R)3((3carboxypropanoyl)oxy)514dihydroxy13methyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthren10yl)methoxy)4oxobutanoicacid
44661104
InChI=1SC31H42O12c1281072122(31(2840)13920(28)181427(38)411618)81230(39)1519(4326(37)5324(34)35)61129(2130)174225(36)4223(32)33h1419223940H2131517H21H3(H3233)(H3435)t19?20?21?22?2829+30?31?m1s1
OC(=O)CCC(=O)OC(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)OC(=O)CCC(=O)O
ZINC000253487754
ZINC000253522746

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Available files

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