Vitas-M small molecule compound

(3beta,5beta,9xi)-3,5,14-trihydroxy-19-oxocard-20(22)-enolide

Catalog ID
STK801878
SMILES O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2C1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)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 C23H32O6 MW 404.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,13,15-18,25,27-28H,2-9,11-12H2,1H3/t15-,16+,17?,18+,20+,21-,22-,23-/m0/s1
InChIKey
ODJLBQGVINUMMR-QSQRAYEHSA-N
Synonyms

(3beta5beta9xi)3514trihydroxy19oxocard20(22)enolide
(3S5S8R10S13R14S17R)3514trihydroxy13methyl17(5oxo2Hfuran3yl)23467891112151617dodecahydro1Hcyclopenta(a)phenanthrene10carbaldehyde
(3S5S8R9S10S13R14S17R)3514trihydroxy13methyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthrene10carbaldehyde
CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)O)C=O)O
InChI=1SC23H32O6c120631718(4822(27)1115(25)2721(1722)1324)23(2028)9516(20)141019(26)291214h10131518252728H291112H21H3t1516+17?18+20+212223m0s1
MFCD05675271
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)O
O=C(C@@)12CC(C@@H)(C(C@@)2(O)CC(C@@H)2C1CC(C@)1((C@)2(O)CC(C@@H)1C1=CC(=O)OC1)C)O
ZINC000003875425
ZINC000003881407

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Available files

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