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

Details

Stereochemistry ABSOLUTE
Molecular Formula C44H76O2
Molecular Weight 637.073
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3.BETA.,13.ALPHA.,14.BETA.,17.ALPHA.,20S)-LANOSTA-8,24-DIEN-3-OL TETRADECANOATE

SMILES

[H][C@](C)(CCC=C(C)C)[C@]1([H])CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]4(C)CC[C@H](OC(=O)CCCCCCCCCCCCC)C(C)(C)[C@]4([H])CC3

InChI

InChIKey=WONXPQRINIOVJF-RBIYMTJHSA-N
InChI=1S/C44H76O2/c1-10-11-12-13-14-15-16-17-18-19-20-24-40(45)46-39-29-30-42(7)36-28-32-43(8)35(34(4)23-21-22-33(2)3)27-31-44(43,9)37(36)25-26-38(42)41(39,5)6/h22,34-35,38-39H,10-21,23-32H2,1-9H3/t34-,35-,38-,39-,42+,43-,44+/m0/s1

HIDE SMILES / InChI

Molecular Formula C44H76O2
Molecular Weight 637.073
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:34:28 GMT 2023
Edited
by admin
on Sat Dec 16 18:34:28 GMT 2023
Record UNII
503IAT6S6X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3.BETA.,13.ALPHA.,14.BETA.,17.ALPHA.,20S)-LANOSTA-8,24-DIEN-3-OL TETRADECANOATE
Common Name English
LANOSTA-8,24-DIEN-3-OL, TETRADECANOATE, 3.BETA.,13.ALPHA.,14.BETA.,17.ALPHA.,20S)-
Common Name English
Code System Code Type Description
CAS
272780-10-6
Created by admin on Sat Dec 16 18:34:28 GMT 2023 , Edited by admin on Sat Dec 16 18:34:28 GMT 2023
PRIMARY
FDA UNII
503IAT6S6X
Created by admin on Sat Dec 16 18:34:28 GMT 2023 , Edited by admin on Sat Dec 16 18:34:28 GMT 2023
PRIMARY
PUBCHEM
56843905
Created by admin on Sat Dec 16 18:34:28 GMT 2023 , Edited by admin on Sat Dec 16 18:34:28 GMT 2023
PRIMARY