Products 960315-96-2

CAS 960315-96-2 is the registry number for 2-Propen-1-yl Ester Amphoteronolide B. Offered by: TRC. Available pack sizes: 100mg.

2-Propen-1-yl Ester Amphoteronolide B
TRC
  • size: 100mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

Prop-2-enyl (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-1,3,5,6,9,11,17,33,37-nonahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate (CAS 960315-96-2) is a chemical compound with the molecular formula C44H66O14 and a molecular weight of 819.0 g/mol. IUPAC name: prop-2-enyl (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-1,3,5,6,9,11,17,33,37-nonahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate. InChIKey: GTJIANAHGVWQRP-JLIGJMQOSA-N.

Identity
Molecular formulaC44H66O14
Molecular weight819.0 g/mol
IUPAC nameprop-2-enyl (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-1,3,5,6,9,11,17,33,37-nonahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
InChIKeyGTJIANAHGVWQRP-JLIGJMQOSA-N
SMILESC[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)OCC=C)O

Computed by PubChem (NCBI)

Synonyms: 2-Propen-1-yl Ester Amphoteronolide B
Isomers (same molecular formula)
6-[(2S,4R,5S,6S,8R)-8-[(1R,2R,3S,5S,7R,9S,10S,12R,15R)-3-[(2R,4R,5S)-5-ethoxycarbonyl-4-hydroxyoxolan-2-yl]-15-hydroxy-2-methoxy-1,3,10,12-tetramethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-3-ethyl-2-hydroxybenzoic acid C44H66O14