Vitas-M small molecule compound
5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
Catalog ID
STL356043
SMILES CCCC1OC2C(O1)(C(=O)CO)C1(C(C2)C2CCC3=CC(=O)C=CC3(C2C(C1)O)C)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 C25H34O6 MW 430.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3InChIKey
VOVIALXJUBGFJZ-UHFFFAOYSA-NSynonyms
16ALPHA17ALPHABUTYLIDENEDIOXY11BETA21DIHYDROXY14PREGNADIENE320DIONE
5hydroxy6b(hydroxyacetyl)4a6adimethyl8propyl4a4b566a6b9a1010a10b1112dodecahydro2Hnaphtho(2145)indeno(12d)(13)dioxol2one
CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C
InChI=1SC25H34O6c14521302011171676141015(27)8923(142)22(16)18(28)1224(173)25(203121)19(29)1326h810161820222628H471113H213H3
MFCD00138154
ZINC000245312522
ZINC000253527956
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