Products 309757-85-5

CAS 309757-85-5 is the registry number for Hexacyclinic acid. Offered by: Chemat. Available pack sizes: 1mg, 5mg.

Hexacyclinic acid
Chemat
  • size: 1mg, 5mg
  • Variants: 2
from 1156.25
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Hexacyclinic acid is a prostanoid.

Source: ChEBI

Identity
Molecular formulaC26H34O9
Molecular weight490.5 g/mol
IUPAC name(1R,2R,4S,7S,8R,9R,10S,11R,12S,13S,14R,17R,18R,19R)-8-acetyloxy-10,19-dihydroxy-1,9,18-trimethyl-15-oxo-16,20-dioxahexacyclo[15.3.2.02,13.04,12.07,11.014,19]docos-5-ene-5-carboxylic acid
InChIKeyOTGHTIDLDTWPFJ-ROQUJFDLSA-N
SMILESC[C@@H]1[C@H]([C@H]2[C@@H]([C@H]1OC(=O)C)C=C([C@@H]3[C@@H]2[C@H]4[C@@H](C3)[C@]5(CC[C@@H]6[C@H]([C@]([C@@H]4C(=O)O6)(O5)O)C)C)C(=O)O)O

Computed by PubChem (NCBI)

Synonyms: Hexacyclinic acid, orb3171731
Isomers (same molecular formula)
[(1R,2R,4R,6S,8S,9S,10S,11S,13S)-2,8-diacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate C26H34O9
ethoxycarbonyl (8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate C26H34O9
(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,4,6,8,10,12,14-heptaenoic acid C26H34O9
(2S,3S,4S,5R,6S)-6-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C26H34O9
(3',7-diacetyloxy-6',6'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl)methyl acetate C26H34O9
[(2R,3R)-3-(acetyloxymethyl)-2-[(3,4-dimethoxyphenyl)methyl]-4-(4-hydroxy-3,5-dimethoxyphenyl)butyl] acetate C26H34O9
3-[11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]-3-hydroxypropanoic acid C26H34O9