Rockogenin

(1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10,16-diol

Also Known As: Rockogenin|Rokogenin|Spirostan-3,12-diol|(25R)-5alpha-spirostan-3beta,12beta-diol|5alpha,25alpha-Spirostan-3beta,12-diol|(25R)-5alpha-Spirostane-3beta,12beta-diol|5 alpha,25 alpha-spirostan-3 beta,12-diol|Spirostan-3,12-diol, (3b,5a,12b,25R)-|25R,5ALPHA-SPIROSTAN-3BETA,12BETA-DIOL|Spirostan-3,12-diol, (3beta,5alpha,12beta,25R)-|spirostan-3,12-diol,(3|A,5|A,12|A,25r)|(3beta,5alpha,12beta,25R)spirostan-3,12-diol|spirostan-3,12-diol,(3|A,5|A,12|A,25r)-|(1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10,16-diol|(1r,2s,4s,5'r,6r,7s,8r,9s,10r,12s,13s,16s,18s)-5',7,9,13-Tetramethylspiro[5-Oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-Oxane]-10,16-Diol|(1'R,2R,2'S,4'S,5R,7'S,8'R,9'S,10'R,12'S,13'S,16'S,18'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosane]-10',16'-diol|(1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icosane-6,2'-oxane)-10,16-diol|82R

Molecular Formula	C27H44O4
Molecular Weight	432.32397 g/mol
LogP	5.1
Topological Polar Surface Area	58.9 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	0
Exact Mass	432.32397
Monoisotopic Mass	432.32397
Heavy Atoms	31
Complexity	726.0

Chemical Identifiers

CAS Number	5455-57-2
SMILES	C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3([C@@H](C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1
InChIKey	BQNMOLSYHYSCMS-TUUYSWIFSA-N