(13α,17α)-11α,12α-Diacetoxy-14β,15β:21,23-diepoxy-4,4-dimethyl-3-oxo-6,7-seco-24-nor-5β-chola-1,7,20,22-tetrene-6-carboxylic acid methyl ester

Modify Date: 2025-09-28 13:04:46

(13α,17α)-11α,12α-Diacetoxy-14β,15β:21,23-diepoxy-4,4-dimethyl-3-oxo-6,7-seco-24-nor-5β-chola-1,7,20,22-tetrene-6-carboxylic acid methyl ester structure	Common Name	(13α,17α)-11α,12α-Diacetoxy-14β,15β:21,23-diepoxy-4,4-dimethyl-3-oxo-6,7-seco-24-nor-5β-chola-1,7,20,22-tetrene-6-carboxylic acid methyl ester
	CAS Number	66610-71-7	Molecular Weight	554.62800
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₃₁H₃₈O₉	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	methyl 2-[(1R,2S)-2-[(1aR,3S,3aR,4R,5S,6R,7aS)-4,5-diacetyloxy-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate
Synonym	More Synonyms

Molecular Formula	C₃₁H₃₈O₉
Molecular Weight	554.62800
Exact Mass	554.25200
PSA	121.64000
LogP	4.31090
InChIKey	RRBQYKQIAKFGIS-AMVRVENBSA-N
SMILES	C=C1C(C2(C)C=CC(=O)C(C)(C)C2CC(=O)OC)C(OC(C)=O)C(OC(C)=O)C2(C)C(c3ccoc3)CC3OC132

Toonacilin

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