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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H46O4
Molecular Weight 470.6838
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3.BETA.-11-KETO-.BETA.-BOSWELLIC ACID

SMILES

C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C

InChI

InChIKey=YIMHGPSYDOGBPI-SCAHIRPMSA-N
InChI=1S/C30H46O4/c1-17-8-11-26(3)14-15-28(5)19(23(26)18(17)2)16-20(31)24-27(4)12-10-22(32)30(7,25(33)34)21(27)9-13-29(24,28)6/h16-18,21-24,32H,8-15H2,1-7H3,(H,33,34)/t17-,18+,21-,22+,23+,24-,26-,27+,28-,29-,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H46O4
Molecular Weight 470.6838
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:35:42 GMT 2025
Edited
by admin
on Mon Mar 31 23:35:42 GMT 2025
Record UNII
57SC4Z5YCY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3.BETA.-11-KETO-.BETA.-BOSWELLIC ACID
Common Name English
URS-12-EN-23-OIC ACID, 3-HYDROXY-11-OXO-, (3.BETA.,4.BETA.)-
Preferred Name English
Code System Code Type Description
CAS
810684-51-6
Created by admin on Mon Mar 31 23:35:42 GMT 2025 , Edited by admin on Mon Mar 31 23:35:42 GMT 2025
PRIMARY
FDA UNII
57SC4Z5YCY
Created by admin on Mon Mar 31 23:35:42 GMT 2025 , Edited by admin on Mon Mar 31 23:35:42 GMT 2025
PRIMARY
PUBCHEM
44433992
Created by admin on Mon Mar 31 23:35:42 GMT 2025 , Edited by admin on Mon Mar 31 23:35:42 GMT 2025
PRIMARY