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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H44O4
Molecular Weight 432.6359
Optical Activity ( - )
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Rockogenin

SMILES

C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)O[C@]16CC[C@@H](C)CO6

InChI

InChIKey=BQNMOLSYHYSCMS-TUUYSWIFSA-N
InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,23-,24+,25+,26-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H44O4
Molecular Weight 432.6359
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 13 / 13
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:28:26 GMT 2025
Edited
by admin
on Wed Apr 02 19:28:26 GMT 2025
Record UNII
3YE2M345DS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Rockogenin
Common Name English
Rokogenin
Preferred Name English
Spirostan-3,12-diol, (3?,5?,12?,25R)-
Systematic Name English
(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
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70937213
Created by admin on Wed Apr 02 19:28:26 GMT 2025 , Edited by admin on Wed Apr 02 19:28:26 GMT 2025
PRIMARY
PUBCHEM
167555
Created by admin on Wed Apr 02 19:28:26 GMT 2025 , Edited by admin on Wed Apr 02 19:28:26 GMT 2025
PRIMARY
CAS
16653-52-4
Created by admin on Wed Apr 02 19:28:26 GMT 2025 , Edited by admin on Wed Apr 02 19:28:26 GMT 2025
PRIMARY
FDA UNII
3YE2M345DS
Created by admin on Wed Apr 02 19:28:26 GMT 2025 , Edited by admin on Wed Apr 02 19:28:26 GMT 2025
PRIMARY
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