Vitas-M small molecule compound
(4aR)-4a,7-dimethyl-8-oxo-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydrophenanthren-2-yl acetate
Catalog ID
STK971801
SMILES CC(=O)OC1CC[C@]2(C(=CCC3C2CCC(C3=O)C)C1)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 C18H26O3 MW 290.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H26O3/c1-11-4-7-16-15(17(11)20)6-5-13-10-14(21-12(2)19)8-9-18(13,16)3/h5,11,14-16H,4,6-10H2,1-3H3/t11?,14?,15?,16?,18-/m0/s1InChIKey
GOCNYSCJLWRRBG-VKFUNQEBSA-NSynonyms
((4aR)4a7dimethyl8oxo12344b5678a9decahydrophenanthren2yl)acetate
(4aR)4a7dimethyl8oxo12344a4b56788a9dodecahydrophenanthren2ylacetate
CC(=O)OC1CC(C@)2(C(=CCC3C2CCC(C3=O)C)C1)C
CC1CCC2C(C1=O)CC=C3C2(CCC(C3)OC(=O)C)C
InChI=1SC18H26O3c111471615(17(11)20)65131014(2112(2)19)8918(1316)3h5111416H4610H213H3t11?14?15?16?18m0s1
MFCD02167808
ZINC000102807149
ZINC000238899553
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