methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S)-3-(4-acetyloxy-3,4-dimethylpent-2-enoyl)oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,1

methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S)-3-(4-acetyloxy-3,4-dimethylpent-2-enoyl)oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate

CAS: 95258-17-6

Molecular Formula	`C36H48O18`
Molecular Weight	768.8 g/mol
LogP	0.1
Topological Polar Surface Area	271.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	18
Rotatable Bonds	11
Exact Mass	768.28406
Heavy Atoms	54
Complexity	1650.0

Chemical Identifiers

CAS Number	95258-17-6
SMILES	`CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC`
InChIKey	`YNYBTCKMNHXXGZ-UFZOBSKKSA-N`

📖 Product Overview

methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S)-3-(4-acetyloxy-3,4-dimethylpent-2-enoyl)oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,1 (CAS: 95258-17-6) is a chemical compound with molecular formula C36H48O18 and molecular weight 768.8 g/mol. Its IUPAC systematic name is methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S)-3-(4-acetyloxy-3,4-dimethylpent-2-enoyl)oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate. LogP 0.1 Topological Polar Surface Area 271.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 18 Rotatable Bonds 11 Exact Mass 768.28406 Heavy Atoms 54 Complexity 1650.0 InChI Key: YNYBTCKMNHXXGZ-UFZOBSKKSA-N. SMILES: CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC.

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S)-3-(4-acetyloxy-3,4-dimethylpent-2-enoyl)oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,1.

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