TRIACETYLINDICINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H31NO8
Molecular Weight	425.4727
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@@](OC(C)=O)([C@H](C)OC(C)=O)C(=O)OCC1=CCN2CC[C@@H](OC(C)=O)[C@@H]12

InChI

InChIKey=KUYONALXCVNWJX-PTMNIEHFSA-N

InChI=1S/C21H31NO8/c1-12(2)21(30-16(6)25,13(3)28-14(4)23)20(26)27-11-17-7-9-22-10-8-18(19(17)22)29-15(5)24/h7,12-13,18-19H,8-11H2,1-6H3/t13-,18+,19+,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H31NO8
Molecular Weight	425.4727
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:18:23 GMT 2025` Edited by `admin` on `Mon Mar 31 22:18:23 GMT 2025`
Record UNII	P013Z0S0YI
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

INDICINE TRIACETATE

Preferred Name

English

TRIACETYLINDICINE

Common Name

English

BUTANOIC ACID, 2-(ACETYLOXY)-2-(1-(ACETYLOXY)ETHYL)-3-METHYL-, (1-(ACETYLOXY)-2,3,5,7A-TETRAHYDRO-1H-PYRROLIZIN-7-YL)METHYL ESTER, (1R-(1.ALPHA.,7(2R*(S*)),7A.BETA.))-

Systematic Name

English

Code System Code Type Description

FDA UNII

P013Z0S0YI

Created by admin on Mon Mar 31 22:18:23 GMT 2025 , Edited by admin on Mon Mar 31 22:18:23 GMT 2025

PRIMARY

EPA CompTox

DTXSID50960423

Created by admin on Mon Mar 31 22:18:23 GMT 2025 , Edited by admin on Mon Mar 31 22:18:23 GMT 2025

PRIMARY

CAS

39870-08-1

Created by admin on Mon Mar 31 22:18:23 GMT 2025 , Edited by admin on Mon Mar 31 22:18:23 GMT 2025

PRIMARY

PUBCHEM

121513836

Created by admin on Mon Mar 31 22:18:23 GMT 2025 , Edited by admin on Mon Mar 31 22:18:23 GMT 2025

PRIMARY