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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H50O2
Molecular Weight 442.7168
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of URSADIOL

SMILES

CC1(C)CC[C@]2(C)[C@@H](O)C[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)=C2C1

InChI

InChIKey=RTLXJEJRLWILSU-GWNGJUQLSA-N
InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h21-24,31-32H,9-18H2,1-8H3/t21-,22+,23-,24-,27-,28-,29+,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H50O2
Molecular Weight 442.7168
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PMID

PMID

TitleDatePMID
Antitubercular activity of triterpenoids from Asteraceae flowers.
2005 Jan
Substance Class Chemical
Created
by admin
on Tue Mar 06 11:42:28 UTC 2018
Edited
by admin
on Tue Mar 06 11:42:28 UTC 2018
Record UNII
3D089V7L0K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
URSADIOL
Common Name English
OLEAN-13(18)-ENE-3,16-DIOL, (3.BETA.,16.BETA.)-
Common Name English
COFLODIOL
Common Name English
Code System Code Type Description
EPA CompTox
37384-13-7
Created by admin on Tue Mar 06 11:42:28 UTC 2018 , Edited by admin on Tue Mar 06 11:42:28 UTC 2018
PRIMARY
PUBCHEM
5273648
Created by admin on Tue Mar 06 11:42:28 UTC 2018 , Edited by admin on Tue Mar 06 11:42:28 UTC 2018
PRIMARY SWITZERF
CAS
37384-13-7
Created by admin on Tue Mar 06 11:42:28 UTC 2018 , Edited by admin on Tue Mar 06 11:42:28 UTC 2018
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
CALENDULA OFFICINALIS FLOWER terpenoid