Vitas-M small molecule compound

(5alpha,6alpha,8xi,9xi,10xi,13xi,14xi,16alpha,17xi)-16-methyl-5,6:17,20-diepoxypregnane-3,20-diyl diacetate

Catalog ID
STL542217
SMILES CC(=O)OC1CCC2([C@@]3(C1)O[C@H]3CC1C2CCC2(C1C[C@H](C12OC1(C)OC(=O)C)C)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 C26H38O6 MW 446.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H38O6/c1-14-11-20-18-12-21-25(31-21)13-17(29-15(2)27)7-9-22(25,4)19(18)8-10-23(20,5)26(14)24(6,32-26)30-16(3)28/h14,17-21H,7-13H2,1-6H3/t14-,17?,18?,19?,20?,21+,22?,23?,24?,25+,26?/m1/s1
InChIKey
MGAZFFQYKGEHGK-IRAMOXEHSA-N
Synonyms

((7~(R)9~(S)14~(R))3acetyloxy231416tetramethylspiro(8oxapentacyclo(9700^(27)0^(79)0^(1216))octadecane152oxirane)5yl)acetate
(4aR5aS6aR6bS8R9aS11aS11bR)389a11btetramethyltetradecahydro1Hspiro(cyclopenta(12)phenanthro(8a9b)oxirene92oxirane)33diyldiacetate
(5alpha6alpha8xi9xi10xi13xi14xi16alpha17xi)16methyl561720diepoxypregnane320diyldiacetate
135639616
CC(=O)OC1CC(C@)2((C@@)3(C1)O(C@H)3C(C@@H)1(C@@H)2CC(C@)2((C@H)1C(C@H)(C12OC1(C)OC(=O)C)C)C)C
InChI=1SC26H38O6c114112018122125(3121)1317(2915(2)27)7922(254)19(18)81023(205)26(14)24(63226)3016(3)28h141721H713H216H3t1417?18?19?20?21+22?23?24?25+26?m1s1
ZINC001772492648
ZINC001772492652

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Available files

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