Vitas-M small molecule compound

20-ethyl-16-methoxy-4-methylaconitane-1,8,14-triol

Catalog ID
STL372882
SMILES CCN1CC2(C)CCC(C34C1C(CC23)C1(O)CC(C2CC4C1C2O)OC)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 C22H35NO4 MW 377.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3
InChIKey
HKQZUYOVMYOFIT-UHFFFAOYSA-N
Synonyms
1079881-26-7
(3R6S6aS8S9S10S11aS12S)1ethyl10methoxy3methyltetradecahydro1H36a12(epiethane(112)triyl)79methanonaphtho(23b)azocine6811atriol
1079881267
20ETHYL16BETAMETHOXY4METHYLACONITANE1ALPHA814ALPHATRIOL
20ethyl16methoxy4methylaconitane1814triol
CARMICHELINE
CCN1C(C@)2(C)CC(C@@H)((C@)34C1(C@H)(CC23)(C@@)1(O)C(C@@H)((C@H)2CC4C1(C@H)2O)OC)O
CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)O)O)C
InChI=1SC22H35NO4c14231020(2)6516(24)221271114(273)921(2617(12)18(11)25)13(19(22)23)815(20)22h11192426H410H213H3
MFCD02267291
ZINC000242498631
ZINC000242498634

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Available files

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