Vitas-M small molecule compound
(5alpha,9xi,14xi,17xi,20xi,22E,24xi)-stigmasta-7,22-dien-3-ol
Catalog ID
STL564970
SMILES CCC(C(C)C)/C=C/C(C1CCC2[C@]1(C)CCC1C2=CC[C@@H]2[C@]1(C)CCC(C2)O)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 C29H48O MW 412.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20?,21?,22-,23?,25?,26?,27?,28-,29+/m0/s1InChIKey
JZVFJDZBLUFKCA-MAGBTJNYSA-NSynonyms
(5alpha9xi14xi17xi20xi22E24xi)stigmasta722dien3ol
(5S10S13R)17((E)5ethyl6methylhept3en2yl)1013dimethyl234569111214151617dodecahydro1Hcyclopenta(a)phenanthren3ol
(5S10S13R14R)17((E)5ethyl6methylhept3en2yl)1013dimethyl2345691011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ol
145705560
CCC(C(C)C)C=CC(C1CC(C@@H)2(C@)1(C)CCC1C2=CC(C@@H)2(C@)1(C)CCC(C2)O)C
InChI=1SC29H48Oc1721(19(2)3)9820(4)25121326241110221823(30)141628(225)27(24)151729(2526)6h89111923252730H7101218H216H3b98+t20?21?2223?25?26?27?2829+m0s1
ZINC001848443781
ZINC001848443784
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