INGENOL-3,5,20-TRIACETATE

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 Search

SMILES

C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(COC(C)=O)[C@@H](OC(C)=O)[C@]4(O)[C@@H](OC(C)=O)C(C)=C[C@@]14C3=O)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

Molecular Formula	C26H34O8
Molecular Weight	474.5434
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Mechanism of selective inhibition of human immunodeficiency virus by ingenol triacetate.	1996-01	8787923

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:50:04 GMT 2025` Edited by `admin` on `Mon Mar 31 21:50:04 GMT 2025`
Record UNII	JJ7S550U27
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RD 3-2118

Preferred Name

English

INGENOL-3,5,20-TRIACETATE

Common Name

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 Mon Mar 31 21:50:04 GMT 2025 , Edited by admin on Mon Mar 31 21:50:04 GMT 2025

PRIMARY

PUBCHEM

65377

Created by admin on Mon Mar 31 21:50:04 GMT 2025 , Edited by admin on Mon Mar 31 21:50:04 GMT 2025

PRIMARY

CAS

30220-45-2

Created by admin on Mon Mar 31 21:50:04 GMT 2025 , Edited by admin on Mon Mar 31 21:50:04 GMT 2025

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EPA CompTox

DTXSID50952601

Created by admin on Mon Mar 31 21:50:04 GMT 2025 , Edited by admin on Mon Mar 31 21:50:04 GMT 2025

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