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Details

Stereochemistry ACHIRAL
Molecular Formula C28H46O2
Molecular Weight 414.6636
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of (5Z,7E)-9,10-SECOERGOSTA-5,7,10(19)-TRIENE-1.ALPHA.,3.BETA.-DIOL

SMILES

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)[C@H](C)CC[C@H](C)C(C)C

InChI

InChIKey=NEETXMRNUNEBRH-GOTXBORWSA-N
InChI=1S/C28H46O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h11-12,18-20,24-27,29-30H,5,7-10,13-17H2,1-4,6H3/b22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H46O2
Molecular Weight 414.6636
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:10:11 UTC 2023
Edited
by admin
on Sat Dec 16 11:10:11 UTC 2023
Record UNII
2OXD32U2AB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(5Z,7E)-9,10-SECOERGOSTA-5,7,10(19)-TRIENE-1.ALPHA.,3.BETA.-DIOL
Systematic Name English
1.ALPHA.-HYDROXYVITAMIN D4
Common Name English
9,10-SECOERGOSTA-5,7,10(19)-TRIENE-1,3-DIOL, (1.ALPHA.,3.BETA.,5Z,7E)-
Systematic Name English
DIHYDRODOXERCALCIFEROL
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID30432714
Created by admin on Sat Dec 16 11:10:11 UTC 2023 , Edited by admin on Sat Dec 16 11:10:11 UTC 2023
PRIMARY
CAS
143032-85-3
Created by admin on Sat Dec 16 11:10:11 UTC 2023 , Edited by admin on Sat Dec 16 11:10:11 UTC 2023
PRIMARY
FDA UNII
2OXD32U2AB
Created by admin on Sat Dec 16 11:10:11 UTC 2023 , Edited by admin on Sat Dec 16 11:10:11 UTC 2023
PRIMARY
PUBCHEM
9909748
Created by admin on Sat Dec 16 11:10:11 UTC 2023 , Edited by admin on Sat Dec 16 11:10:11 UTC 2023
PRIMARY
Related Record Type Details
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