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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H34O6
Molecular Weight 430.5339
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 12-Deoxyphorbol 13-tiglate

SMILES

C\C=C(/C)C(=O)O[C@@]12C[C@@H](C)[C@]3(O)[C@@H]4C=C(C)C(=O)[C@@]4(O)CC(CO)=C[C@H]3[C@@H]1C2(C)C

InChI

InChIKey=GFAGCYRBGVCTPP-MDYQULRUSA-N
InChI=1S/C25H34O6/c1-7-13(2)21(28)31-24-10-15(4)25(30)17(19(24)22(24,5)6)9-16(12-26)11-23(29)18(25)8-14(3)20(23)27/h7-9,15,17-19,26,29-30H,10-12H2,1-6H3/b13-7+/t15-,17+,18-,19-,23-,24+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H34O6
Molecular Weight 430.5339
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:16:09 GMT 2025
Edited
by admin
on Mon Mar 31 22:16:09 GMT 2025
Record UNII
UG577HF8XU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Butenoic acid, 2-methyl-, (1aR,1bS,4aR,7aS,7bR,8R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester, (2E)-
Preferred Name English
12-Deoxyphorbol 13-tiglate
Common Name English
Code System Code Type Description
CAS
28152-96-7
Created by admin on Mon Mar 31 22:16:09 GMT 2025 , Edited by admin on Mon Mar 31 22:16:09 GMT 2025
PRIMARY
FDA UNII
UG577HF8XU
Created by admin on Mon Mar 31 22:16:09 GMT 2025 , Edited by admin on Mon Mar 31 22:16:09 GMT 2025
PRIMARY
PUBCHEM
6506231
Created by admin on Mon Mar 31 22:16:09 GMT 2025 , Edited by admin on Mon Mar 31 22:16:09 GMT 2025
PRIMARY