Vitas-M small molecule compound
(4aR,6aS,6bS,9aR)-4a,6a,8,8-tetramethyl-6b-propanoyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
Catalog ID
STL524605
SMILES CCC(=O)[C@@]12OC(O[C@@H]1CC1[C@]2(C)CCC2C1CCC1=CC(=O)CC[C@]21C)(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 C25H36O4 MW 400.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H36O4/c1-6-20(27)25-21(28-22(2,3)29-25)14-19-17-8-7-15-13-16(26)9-11-23(15,4)18(17)10-12-24(19,25)5/h13,17-19,21H,6-12,14H2,1-5H3/t17?,18?,19?,21-,23+,24+,25-/m1/s1InChIKey
QMWIFRGRMGOLIY-QSEJRREXSA-NSynonyms
(4~(R)8~(S)9~(S)13~(R))66913tetramethyl8propanoyl57dioxapentacyclo(10800^(29)0^(48)0^(1318))icos17en16one
(4aR6aS6bS9aR)4a6a88tetramethyl6bpropanoyl344a4b566a6b9a1010a10b1112tetradecahydro2Hnaphtho(2145)indeno(12d)(13)dioxol2one
(6aR6bS8aS8bS11aR12aS12bR)6a8a1010tetramethyl8bpropionyl566a6b788a8b11a1212a12bdodecahydro1Hnaphtho(2145)indeno(12d)(13)dioxol4(2H)one
75531910
CCC(=O)(C@@)12OC(O(C@@H)1C(C@@H)1(C@)2(C)CC(C@H)2(C@H)1CCC1=CC(=O)CC(C@)21C)(C)C
InChI=1SC25H36O4c1620(27)2521(2822(23)2925)14191787151316(26)91123(154)18(17)101224(1925)5h13171921H61214H215H3t17?18?19?2123+24+25m1s1
MFCD02057820
ZINC000005791943
ZINC000253534449
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