Vitas-M small molecule compound

2,3,14,20,22,25-hexahydroxycholest-7-en-6-one

Catalog ID
STK801665
SMILES OC1CC2(C)C(CC1O)C(=O)C=C1C2CCC2(C1(O)CCC2C(C(CCC(O)(C)C)O)(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 C27H44O7 MW 480.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3
InChIKey
NKDFYOWSKOHCCO-UHFFFAOYSA-N
Synonyms

(2R3R5R10R13R14S17S)2314trihydroxy1013dimethyl17((2R3R)236trihydroxy6methylheptan2yl)2345911121314151617dodecahydro1Hcyclopenta(a)phenanthren6(10H)one
2314202225hexahydroxycholest7en6one
2314trihydroxy1013dimethyl17(236trihydroxy6methylheptan2yl)234591112151617decahydro1Hcyclopenta(a)phenanthren6one
BETAECDYSTERONE
CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O
ECDYSTERONE
InChI=1SC27H44O7c123(232)9822(31)26(533)2171127(34)161218(28)171319(29)20(30)1424(173)15(16)61025(2127)4h12151719222934H6111314H215H3
O(C@@H)1C(C@@)2(C)(C@@H)(C(C@H)1O)C(=O)C=C1C2CC(C@)2((C@@)1(O)CC(C@@H)2(C@)((C@@H)(CCC(O)(C)C)O)(O)C)C
ZINC000253527864
ZINC000253527869

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.