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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H44O
Molecular Weight 384.6377
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ISOTACHYSTEROL 3

SMILES

[H][C@@]1(CCC2=C(CCC[C@]12C)\C=C\C3=C(C)CC[C@H](O)C3)[C@H](C)CCCC(C)C

InChI

InChIKey=ZPZNWLRQHDLNNV-QVEMQNNUSA-N
InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-25,28H,6-11,14-18H2,1-5H3/b13-12+/t21-,24+,25-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H44O
Molecular Weight 384.6377
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:25:40 UTC 2023
Edited
by admin
on Sat Dec 16 10:25:40 UTC 2023
Record UNII
I627F2EB69
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOTACHYSTEROL 3
Common Name English
9,10-SECOCHOLESTA-5(10),6,8(14)-TRIEN-3.BETA.-OL, (E)-
Systematic Name English
ISOTACHYSTEROL3
Common Name English
CHOLECALCIFEROL IMPURITY D (EP)
Common Name English
9,10-SECOCHOLESTA-5(10),6,8(14)-TRIEN-3-OL, (3.BETA.,6E)-
Systematic Name English
(6E)-9,10-SECOCHOLESTA-5(10),6,8(14)-TRIEN-3.BETA.-OL
Systematic Name English
TOXISTEROL3 D3
Common Name English
Code System Code Type Description
PUBCHEM
5283714
Created by admin on Sat Dec 16 10:25:40 UTC 2023 , Edited by admin on Sat Dec 16 10:25:40 UTC 2023
PRIMARY
CAS
22350-43-2
Created by admin on Sat Dec 16 10:25:40 UTC 2023 , Edited by admin on Sat Dec 16 10:25:40 UTC 2023
PRIMARY
FDA UNII
I627F2EB69
Created by admin on Sat Dec 16 10:25:40 UTC 2023 , Edited by admin on Sat Dec 16 10:25:40 UTC 2023
PRIMARY
CAS
857195-12-1
Created by admin on Sat Dec 16 10:25:40 UTC 2023 , Edited by admin on Sat Dec 16 10:25:40 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
Related Record Type Details
PARENT -> IMPURITY