Vitas-M small molecule compound
methyl (7S,10aR)-14-hydroxy-1,4-dimethoxy-7,10a-dimethyl-13-(propan-2-yl)-6,6a,7,8,9,10,10a,10b,11,12-decahydro-5H-4b,12-ethanochrysene-7-carboxylate
Catalog ID
STL527676
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C1CCC13C2CC(C(C1O)C(C)C)c1c3c(OC)ccc1OC)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 C29H42O5 MW 470.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H42O5/c1-16(2)22-17-15-21-27(3)12-8-13-28(4,26(31)34-7)20(27)11-14-29(21,25(22)30)24-19(33-6)10-9-18(32-5)23(17)24/h9-10,16-17,20-22,25,30H,8,11-15H2,1-7H3/t17?,20?,21?,22?,25?,27-,28-,29?/m0/s1InChIKey
DLBTTXKMLBYQCR-NBMYBTAHSA-NSynonyms
(7S10aR)methyl14hydroxy13isopropyl14dimethoxy710adimethyl66a7891010a10b1112decahydro5H4b12ethanochrysene7carboxylate
16397796
COC(=O)(C@@)1(C)CCC(C@)2(C1CCC13C2CC(C(C1O)C(C)C)c1c3c(OC)ccc1OC)C
InChI=1SC29H42O5c116(2)2217152127(3)1281328(426(31)347)20(27)111429(2125(22)30)2419(336)10918(325)23(17)24h910161720222530H81115H217H3t17?20?21?22?25?272829?m0s1
methyl(5~(S)9~(R))19hydroxy1417dimethoxy59dimethyl20propan2ylpentacyclo(10620^(110)0^(49)0^(1318))icosa131517triene5carboxylate
methyl(7S10aR)14hydroxy14dimethoxy710adimethyl13(propan2yl)66a7891010a10b1112decahydro5H4b12ethanochrysene7carboxylate
MFCD03267298
ZINC000229753264
ZINC000252693502
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