Vitas-M small molecule compound
(8xi,9xi,14xi,16alpha)-6-oxoestra-1,3,5(10)-triene-3,16,17-triyl triacetate
Catalog ID
STL525088
SMILES CC(=O)Oc1ccc2c(c1)C(=O)CC1C2CC[C@]2(C1C[C@H](C2OC(=O)C)OC(=O)C)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 C24H28O7 MW 428.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28O7/c1-12(25)29-15-5-6-16-17-7-8-24(4)20(18(17)10-21(28)19(16)9-15)11-22(30-13(2)26)23(24)31-14(3)27/h5-6,9,17-18,20,22-23H,7-8,10-11H2,1-4H3/t17?,18?,20?,22-,23?,24+/m1/s1InChIKey
YKXHUDXDHCUGIF-UNKQLQNASA-NSynonyms
((13~(S)16~(R))317diacetyloxy13methyl6oxo89111214151617octahydro7~(H)cyclopenta(a)phenanthren16yl)acetate
(13S16R)13methyl6oxo78911121314151617decahydro6Hcyclopenta(a)phenanthrene31617triyltriacetate
(8xi9xi14xi16alpha)6oxoestra135(10)triene31617triyltriacetate
16396197
CC(=O)Oc1ccc2c(c1)C(=O)CC1C2CC(C@)2(C1C(C@H)(C2OC(=O)C)OC(=O)C)C
InChI=1SC24H28O7c112(25)29155616177824(4)20(18(17)1021(28)19(16)915)1122(3013(2)26)23(24)3114(3)27h5691718202223H781011H214H3t17?18?20?2223?24+m1s1
MFCD01082526
ZINC000035361155
ZINC000252695336
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