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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H38O8
Molecular Weight 514.6072
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LUCIDENIC ACID D

SMILES

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

InChI

InChIKey=LTJSBYAKDOGXLX-JTJCPSTFSA-N
InChI=1S/C29H38O8/c1-14(8-9-21(34)35)16-12-20(33)29(7)22-17(31)13-18-26(3,4)19(32)10-11-27(18,5)23(22)24(36)25(28(16,29)6)37-15(2)30/h14,16,18,25H,8-13H2,1-7H3,(H,34,35)/t14-,16-,18+,25-,27+,28+,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H38O8
Molecular Weight 514.6072
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 12:44:05 GMT 2023
Edited
by admin
on Sat Dec 16 12:44:05 GMT 2023
Record UNII
4C2000605T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LUCIDENIC ACID D
Common Name English
NSC-733508
Code English
LUCIDENIC ACID D 2
Common Name English
LUCIDENIC ACID D2
Common Name English
(5.ALPHA.,12.BETA.)-12-(ACETYLOXY)-4,4,14-TRIMETHYL-3,7,11,15-TETRAOXOCHOL-8-EN-24-OIC ACID
Systematic Name English
CHOL-8-EN-24-OIC ACID, 12-(ACETYLOXY)-4,4,14-TRIMETHYL-3,7,11,15-TETRAOXO-, (5.ALPHA.,12.BETA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
23247891
Created by admin on Sat Dec 16 12:44:05 GMT 2023 , Edited by admin on Sat Dec 16 12:44:05 GMT 2023
PRIMARY
FDA UNII
4C2000605T
Created by admin on Sat Dec 16 12:44:05 GMT 2023 , Edited by admin on Sat Dec 16 12:44:05 GMT 2023
PRIMARY
CAS
98665-16-8
Created by admin on Sat Dec 16 12:44:05 GMT 2023 , Edited by admin on Sat Dec 16 12:44:05 GMT 2023
PRIMARY
EPA CompTox
DTXSID50631520
Created by admin on Sat Dec 16 12:44:05 GMT 2023 , Edited by admin on Sat Dec 16 12:44:05 GMT 2023
PRIMARY
NSC
733508
Created by admin on Sat Dec 16 12:44:05 GMT 2023 , Edited by admin on Sat Dec 16 12:44:05 GMT 2023
PRIMARY