Vitas-M small molecule compound
(8xi,9xi,14xi,16alpha,17xi)-3-hydroxy-16-methylpregn-5-en-20-one
Catalog ID
STL547680
SMILES OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@H](C2C(=O)C)C)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 C22H34O2 MW 330.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H34O2/c1-13-11-19-17-6-5-15-12-16(24)7-9-21(15,3)18(17)8-10-22(19,4)20(13)14(2)23/h5,13,16-20,24H,6-12H2,1-4H3/t13-,16?,17?,18?,19?,20?,21+,22+/m1/s1InChIKey
XXSFRYVGIQYVIQ-VWJBPWTDSA-NSynonyms
(8xi9xi14xi16alpha17xi)3hydroxy16methylpregn5en20one
1((10~(R)13~(S)16~(R))3hydroxy101316trimethyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren17yl)ethanone
1((3S8S10R13S16R17S)3hydroxy101316trimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)ethanone
135639774
InChI=1SC22H34O2c11311191765151216(24)7921(153)18(17)81022(194)20(13)14(2)23h513162024H612H214H3t1316?17?18?19?20?21+22+m1s1
MFCD01545968
O(C@H)1CC(C@)2(C(=CC(C@@H)3C2CC(C@)2(C3C(C@H)((C@@H)2C(=O)C)C)C)C1)C
ZINC000004787353
ZINC001772492758
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