Vitas-M small molecule compound
(8xi,9xi,14xi,16alpha)-20-(hydroxymethyl)-21,21-dimethoxy-16,17-epoxypregna-5,20-dien-3-ol
Catalog ID
STL524942
SMILES OCC(=C(OC)OC)[C@@]12O[C@@H]1CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(C1)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 C24H36O5 MW 404.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H36O5/c1-22-9-7-15(26)11-14(22)5-6-16-17(22)8-10-23(2)18(16)12-20-24(23,29-20)19(13-25)21(27-3)28-4/h5,15-18,20,25-26H,6-13H2,1-4H3/t15?,16?,17?,18?,20-,22+,23+,24-/m1/s1InChIKey
UGMWRFLQZPETPD-WKIBFXIRSA-NSynonyms
(4~(R)6~(R)7~(S)11~(R))6(3hydroxy11dimethoxyprop1en2yl)711dimethyl5oxapentacyclo(8800^(27)0^(46)0^(1116))octadec16en14ol
(6aR8aS8bR9aR)8b(3hydroxy11dimethoxyprop1en2yl)6a8adimethyl34566a6b788a8b9a1010a10btetradecahydro1Hnaphtho(2145)indeno(12b)oxiren4ol
(8xi9xi14xi16alpha)20(hydroxymethyl)2121dimethoxy1617epoxypregna520dien3ol
16396704
InChI=1SC24H36O5c1229715(26)1114(22)561617(22)81023(2)18(16)122024(232920)19(1325)21(273)284h51518202526H613H214H3t15?16?17?18?2022+23+24m1s1
MFCD02057953
OCC(=C(OC)OC)(C@@)12O(C@@H)1CC1(C@)2(C)CCC2C1CC=C1(C@)2(C)CCC(C1)O
ZINC000004027885
ZINC000253500031
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