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Details

Stereochemistry MIXED
Molecular Formula C27H46O
Molecular Weight 390.6698
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHOLESTEROL, H-3

SMILES

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

InChI

InChIKey=HVYWMOMLDIMFJA-OZXVBKCJSA-N
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i13T,15T/t13?,15?,19-,21+,22+,23-,24+,25+,26+,27-

HIDE SMILES / InChI

Molecular Formula C27H46O
Molecular Weight 390.6698
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 8 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:57:12 GMT 2023
Edited
by admin
on Sat Dec 16 17:57:12 GMT 2023
Record UNII
E826648RKN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLESTEROL, H-3
Common Name English
CHOLESTEROL-1,2-3H2
Common Name English
H3-CHOLESTEROL
Common Name English
CHOLEST-5-EN-1,2-T2-3-OL, (3.BETA.)-
Common Name English
3H-CHOLESTEROL
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID30939056
Created by admin on Sat Dec 16 17:57:12 GMT 2023 , Edited by admin on Sat Dec 16 17:57:12 GMT 2023
PRIMARY
CAS
17822-79-6
Created by admin on Sat Dec 16 17:57:12 GMT 2023 , Edited by admin on Sat Dec 16 17:57:12 GMT 2023
PRIMARY
CAS
22243-67-0
Created by admin on Sat Dec 16 17:57:12 GMT 2023 , Edited by admin on Sat Dec 16 17:57:12 GMT 2023
NON-SPECIFIC SUBSTITUTION
FDA UNII
E826648RKN
Created by admin on Sat Dec 16 17:57:12 GMT 2023 , Edited by admin on Sat Dec 16 17:57:12 GMT 2023
PRIMARY
PUBCHEM
167677
Created by admin on Sat Dec 16 17:57:12 GMT 2023 , Edited by admin on Sat Dec 16 17:57:12 GMT 2023
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED
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ACTIVE MOIETY