Vitas-M small molecule compound
(4aR,4bS,7R,10aR,12aR)-7,10a-dimethyl-1,4-dioxo-13-(propan-2-yl)hexadecahydro-1H-4b,12-ethenochrysene-7-carboxylic acid
Catalog ID
STL552826
SMILES O=C1CCC(=O)[C@H]2[C@@H]1[C@@]13CCC4[C@](C3CC2C(=C1)C(C)C)(C)CCC[C@@]4(C)C(=O)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 C26H36O4 MW 412.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36O4/c1-14(2)16-13-26-11-8-19-24(3,9-5-10-25(19,4)23(29)30)20(26)12-15(16)21-17(27)6-7-18(28)22(21)26/h13-15,19-22H,5-12H2,1-4H3,(H,29,30)/t15?,19?,20?,21-,22+,24-,25+,26-/m0/s1InChIKey
JPGGQHZUOUAFHK-VNYZXRSNSA-NSynonyms
(1~(S)5~(R)9~(R)13~(R)18~(R))59dimethyl1417dioxo20propan2ylpentacyclo(10620^(110)0^(49)0^(1318))icos19ene5carboxylicacid
(4aR4bS7R10aR12aR)13isopropyl710adimethyl14dioxo2344a566a7891010a10b111212ahexadecahydro1H4b12ethenochrysene7carboxylicacid
(4aR4bS7R10aR12aR)710adimethyl14dioxo13(propan2yl)hexadecahydro1H4b12ethenochrysene7carboxylicacid
16397310
InChI=1SC26H36O4c114(2)1613261181924(3951025(194)23(29)30)20(26)1215(16)2117(27)6718(28)22(21)26h13151922H512H214H3(H2930)t15?19?20?2122+2425+26m0s1
O=C1CCC(=O)(C@H)2(C@@H)1(C@@)13CCC4(C@)(C3CC2C(=C1)C(C)C)(C)CCC(C@@)4(C)C(=O)O
ZINC000105366992
ZINC000105367000
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