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Vitas-M small molecule compound

(9xi,11alpha,17xi,22S)-2,3,11,14,20,22,25-heptahydroxycholest-7-en-6-one

Catalog ID
STK035415
SMILES O[C@@H]1C[C@]2(C)C(CC[C@]2(C2=CC(=O)C3[C@](C12)(C)CC(O)C(C3)O)O)[C@]([C@H](CCC(O)(C)C)O)(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 C27H44O8 MW 496.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H44O8/c1-23(2,33)8-7-21(32)26(5,34)20-6-9-27(35)15-11-16(28)14-10-17(29)18(30)12-24(14,3)22(15)19(31)13-25(20,27)4/h11,14,17-22,29-35H,6-10,12-13H2,1-5H3/t14?,17?,18?,19-,20?,21+,22?,24+,25-,26-,27-/m1/s1
InChIKey
WSBAGDDNVWTLOM-ULTQMYNUSA-N
Synonyms

(10R11R13R14S)231114tetrahydroxy1013dimethyl17((2R3S)236trihydroxy6methylheptan2yl)234591112151617decahydro1Hcyclopenta(a)phenanthren6one
(2S3R5R10R11R13R14S17S)231114tetrahydroxy1013dimethyl17((2R3S)236trihydroxy6methylheptan2yl)2345911121314151617dodecahydro1Hcyclopenta(a)phenanthren6(10H)one
(9xi11alpha17xi22S)231114202225heptahydroxycholest7en6one
CC12CC(C3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O)O
InChI=1SC27H44O8c123(233)8721(32)26(534)206927(35)151116(28)141017(29)18(30)1224(143)22(15)19(31)1325(2027)4h111417222935H6101213H215H3t14?17?18?1920?21+22?24+252627m1s1
O(C@@H)1C(C@)2(C)(C@H)(CC(C@)2(C2=CC(=O)(C@H)3(C@)(C12)(C)C(C@H)(O)(C@@H)(C3)O)O)(C@)((C@H)(CCC(O)(C)C)O)(O)C
O(C@@H)1C(C@)2(C)C(CC(C@)2(C2=CC(=O)C3(C@)(C12)(C)CC(O)C(C3)O)O)(C@)((C@H)(CCC(O)(C)C)O)(O)C
STK035415
ZINC000254290249
ZINC000257173767

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Available files

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