(3beta,22alpha,25S)-22,25-Epoxyfurost-5-ene-3,26-diol

(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5'-(hydroxymethyl)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-ol

Also Known As: Nuatigenin|22S,25S-furospirost-5-en-3beta,26-diol|(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol|(25S)-22alpha,25-Epoxyfurost-5-ene-3beta,26-diol|(22S,25S)-22,25-Epoxyfurost-5-en-3beta,26-diol|(22S,25S)-22,25-epoxyfurost-5-ene-3beta,26-diol|(22S,25S)22,25-epoxy-3beta,26-dihydroxy-furost-5-ene|(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5'-(hydroxymethyl)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-ol|(20S,22S,25S)-22,25-epoxyfurost-5-ene-3-beta,26-diol|(3beta,22alpha,25S)-22,25-Epoxyfurost-5-ene-3,26-diol|(1'S,2S,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'R,16'S)-5-(hydroxymethyl)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-18'-en-16'-ol|(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5'-(hydroxymethyl)-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icos-18-ene-6,2'-oxolane)-16-ol

Molecular Formula	C27H42O4
Molecular Weight	430.30832 g/mol
LogP	4.4
Topological Polar Surface Area	58.9 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	430.30832
Monoisotopic Mass	430.30832
Heavy Atoms	31
Complexity	794.0

Chemical Identifiers

CAS Number	6811-35-4
SMILES	C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)O[C@]16CC[C@@](O6)(C)CO
InChIKey	NELZMZLNTYWIPD-MLBSDYKWSA-N