18-Deoxyherboxidiene

cas: 1200128-66-0 — see every product listed under this CAS number, including other names

18-Deoxyherboxidiene (CAS 1200128-66-0) is a chemical reagent available from Chemat. Available pack sizes: 1mg, Get quote. Offered by: TargetMol, Biosynth, MedChemExpress.

brandTargetMol
catalog numberT62267-1mg
cas1200128-66-0
size1mg
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Structural formula: {0} (CAS {1})

2-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]acetic acid (CAS 1200128-66-0) is a chemical compound with the molecular formula C25H42O5 and a molecular weight of 422.6 g/mol. IUPAC name: 2-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]acetic acid. InChIKey: HRBJWKYIBBNOQT-YZDAHXQASA-N.

Identity
Molecular formulaC25H42O5
Molecular weight422.6 g/mol
IUPAC name2-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]acetic acid
InChIKeyHRBJWKYIBBNOQT-YZDAHXQASA-N
SMILESCC[C@@H]([C@@H](C)[C@@H]1[C@@](O1)(C)C[C@H](C)/C=C/C=C(\C)/[C@@H]2[C@H](CC[C@@H](O2)CC(=O)O)C)OC

Computed by PubChem (NCBI)

Synonyms: 18-Deoxyherboxidiene, 18-DeoxyherboxidieneDISCONTINUED
Isomers (same molecular formula)
methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C25H42O5
methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7,12-trihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C25H42O5
octadecyl 3,4,5-trihydroxybenzoate C25H42O5
(4R)-4-[(3R,5S,7R,8R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-7,10,13-trimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C25H42O5
(5R)-5-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoic acid C25H42O5
[(1S,3S,4aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-dimethylbutanoate C25H42O5

Also listed as

18–Deoxyherboxidiene GLPBio CAS 1200128-66-0