Vitas-M small molecule compound
(4aR,6aS,6bS,9aR)-6b-[(acetyloxy)acetyl]-4a,6a,8,8-tetramethyl-2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11-tetradecahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-yl acetate
Catalog ID
STL525318
SMILES CC(=O)OCC(=O)[C@@]12OC(O[C@@H]1CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(C1)OC(=O)C)(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 C28H40O7 MW 488.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H40O7/c1-16(29)32-15-23(31)28-24(34-25(3,4)35-28)14-22-20-8-7-18-13-19(33-17(2)30)9-11-26(18,5)21(20)10-12-27(22,28)6/h7,19-22,24H,8-15H2,1-6H3/t19?,20?,21?,22?,24-,26+,27+,28-/m1/s1InChIKey
YJFXDKLHILLZEN-VZGNWWSBSA-NSynonyms
(2((4~(R)8~(S)9~(S)13~(R))16acetyloxy66913tetramethyl57dioxapentacyclo(10800^(29)0^(48)0^(1318))icos18en8yl)2oxoethyl)acetate
(4aR6aS6bS9aR)6b((acetyloxy)acetyl)4a6a88tetramethyl2344a4b566a6b9a1010a10b11tetradecahydro1Hnaphtho(2145)indeno(12d)(13)dioxol2ylacetate
16396374
2((6aR8aS8bS11aR)4acetoxy6a8a1010tetramethyl34566a6b788a8b11a1212a12btetradecahydro1Hnaphtho(2145)indeno(12d)(13)dioxol8byl)2oxoethylacetate
CC(=O)OCC(=O)(C@@)12OC(O(C@@H)1CC1(C@)2(C)CCC2C1CC=C1(C@)2(C)CCC(C1)OC(=O)C)(C)C
InChI=1SC28H40O7c116(29)321523(31)2824(3425(34)3528)14222087181319(3317(2)30)91126(185)21(20)101227(2228)6h7192224H815H216H3t19?20?21?22?2426+27+28m1s1
MFCD01844931
ZINC000012658152
ZINC000253500181
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