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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H34O8
Molecular Weight 474.5434
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INGENOL-3,5,20-TRIACETATE

SMILES

[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(C)=O)[C@@]3(O)[C@H](OC(C)=O)C(COC(C)=O)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C

InChI

InChIKey=IMTIXJBINQBHFH-JETAQZOISA-N
InChI=1S/C26H34O8/c1-12-10-25-13(2)8-19-20(24(19,6)7)18(21(25)30)9-17(11-32-14(3)27)23(34-16(5)29)26(25,31)22(12)33-15(4)28/h9-10,13,18-20,22-23,31H,8,11H2,1-7H3/t13-,18+,19-,20+,22+,23-,25+,26-/m1/s1

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Name Type Language
INGENOL-3,5,20-TRIACETATE
Common Name English
RD 3-2118
Code English
3,5,20-TRI-O-ACETYLINGENOL
Systematic Name English
INGENOL TRIACETATE
Common Name English
1H-2,8A-METHANOCYCLOPENTA(A)CYCLOPROPA(E)CYCLODECEN-11-ONE, 5,6-BIS(ACETYLOXY)-4-((ACETYLOXY)METHYL)-1A,2,5,5A,6,9,10,10A-OCTAHYDRO-5A-HYDROXY-1,1,7,9-TETRAMETHYL-, (1AR,2S,5R,5AR,6S,8AS,9R,10AR)-
Systematic Name English
Code System Code Type Description
FDA UNII
JJ7S550U27
Created by admin on Sat Dec 16 08:01:43 UTC 2023 , Edited by admin on Sat Dec 16 08:01:43 UTC 2023
PRIMARY
PUBCHEM
65377
Created by admin on Sat Dec 16 08:01:43 UTC 2023 , Edited by admin on Sat Dec 16 08:01:43 UTC 2023
PRIMARY
CAS
30220-45-2
Created by admin on Sat Dec 16 08:01:43 UTC 2023 , Edited by admin on Sat Dec 16 08:01:43 UTC 2023
PRIMARY
EPA CompTox
DTXSID50952601
Created by admin on Sat Dec 16 08:01:43 UTC 2023 , Edited by admin on Sat Dec 16 08:01:43 UTC 2023
PRIMARY