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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H46O3
Molecular Weight 418.6523
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7.BETA.-HYDROPEROXYCHOLESTEROL

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](OO)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C

InChI

InChIKey=KJIGLXGIVLBXCF-KGZHIOMZSA-N
InChI=1S/C27H46O3/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)30-29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H46O3
Molecular Weight 418.6523
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:54:45 GMT 2023
Edited
by admin
on Sat Dec 16 01:54:45 GMT 2023
Record UNII
VL6S4E8TMJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7.BETA.-HYDROPEROXYCHOLESTEROL
Systematic Name English
7.BETA.-HYDROPEROXYCHOLEST-5-EN-3.BETA.-OL
Systematic Name English
CHOLEST-5-EN-3-OL, 7-HYDROPEROXY-, (3.BETA.,7.BETA.)-
Systematic Name English
(3S,7R,8S,9S,10R,13R,14S,17R)-17-((1R)-1,5-DIMETHYLHEXYL)-7-HYDROPEROXY-10,13-DIMETHYL-2,3,4,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-3-OL
Systematic Name English
(3.BETA.,7.BETA.)-7-HYDROPEROXYCHOLEST-5-EN-3-OL
Systematic Name English
7-HYDROPEROXYCHOLESTEROL, (7BETA)-
Systematic Name English
Code System Code Type Description
PUBCHEM
14017135
Created by admin on Sat Dec 16 01:54:45 GMT 2023 , Edited by admin on Sat Dec 16 01:54:45 GMT 2023
PRIMARY
CAS
36871-91-7
Created by admin on Sat Dec 16 01:54:45 GMT 2023 , Edited by admin on Sat Dec 16 01:54:45 GMT 2023
PRIMARY
FDA UNII
VL6S4E8TMJ
Created by admin on Sat Dec 16 01:54:45 GMT 2023 , Edited by admin on Sat Dec 16 01:54:45 GMT 2023
PRIMARY