U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C46H82O2
Molecular Weight 667.1421
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CAMPESTANYL OLEATE

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@H](C)CC[C@@H](C)C(C)C

InChI

InChIKey=MIFQIOVONOEWLL-RSRHMZGRSA-N
InChI=1S/C46H82O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h15-16,35-43H,8-14,17-34H2,1-7H3/b16-15-/t36-,37-,38+,39+,40+,41-,42+,43+,45+,46-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CAMPESTANYL OLEATE
Common Name English
(3.BETA.,5.ALPHA.,24R)-ERGOSTAN-3-YL (9Z)-9-OCTADECENOATE
Common Name English
ERGOSTAN-3-OL, 3-(9Z)-9-OCTADECENOATE, (3.BETA.,5.ALPHA.,24R)-
Common Name English
Code System Code Type Description
FDA UNII
BUQ23IOU77
Created by admin on Sat Dec 16 13:40:27 GMT 2023 , Edited by admin on Sat Dec 16 13:40:27 GMT 2023
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CAS
1057399-99-1
Created by admin on Sat Dec 16 13:40:27 GMT 2023 , Edited by admin on Sat Dec 16 13:40:27 GMT 2023
PRIMARY
PUBCHEM
102138510
Created by admin on Sat Dec 16 13:40:27 GMT 2023 , Edited by admin on Sat Dec 16 13:40:27 GMT 2023
PRIMARY