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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H46O2
Molecular Weight 402.6529
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4.BETA.-HYDROXYCHOLESTEROL

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C

InChI

InChIKey=CZDKQKOAHAICSF-JSAMMMMSSA-N
InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24+,25-,26-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H46O2
Molecular Weight 402.6529
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:33:35 GMT 2023
Edited
by admin
on Sat Dec 16 11:33:35 GMT 2023
Record UNII
3T705H20G7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4.BETA.-HYDROXYCHOLESTEROL
Systematic Name English
3.BETA.,4.BETA.-DIHYDROXYCHOLEST-5-ENE
Systematic Name English
CHOLEST-5-ENE-3,4-DIOL, (3.BETA.,4.BETA.)-
Systematic Name English
CIS-3,4-DIHYDROXY-.DELTA.5-CHOLESTENE
Systematic Name English
4-HYDROXYCHOLESTEROL, (4BETA)-
Systematic Name English
CIS-.DELTA.5-CHOLESTENE-3,4-DIOL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40938338
Created by admin on Sat Dec 16 11:33:36 GMT 2023 , Edited by admin on Sat Dec 16 11:33:36 GMT 2023
PRIMARY
CAS
17320-10-4
Created by admin on Sat Dec 16 11:33:36 GMT 2023 , Edited by admin on Sat Dec 16 11:33:36 GMT 2023
PRIMARY
FDA UNII
3T705H20G7
Created by admin on Sat Dec 16 11:33:36 GMT 2023 , Edited by admin on Sat Dec 16 11:33:36 GMT 2023
PRIMARY
PUBCHEM
3247060
Created by admin on Sat Dec 16 11:33:36 GMT 2023 , Edited by admin on Sat Dec 16 11:33:36 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE