BENZOYLCHELIDONINE, (+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H23NO6
Molecular Weight	457.4746
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1CC2=C3OCOC3=CC=C2[C@H]4[C@H](CC5=CC6=C(OCO6)C=C5[C@@H]14)OC(=O)C7=CC=CC=C7

InChI

InChIKey=OJUONBUZEDFJPA-CCDWMCETSA-N

InChI=1S/C27H23NO6/c1-28-12-19-17(7-8-20-26(19)33-14-30-20)24-23(34-27(29)15-5-3-2-4-6-15)10-16-9-21-22(32-13-31-21)11-18(16)25(24)28/h2-9,11,23-25H,10,12-14H2,1H3/t23-,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H23NO6
Molecular Weight	457.4746
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:37:20 GMT 2025` Edited by `admin` on `Mon Mar 31 22:37:20 GMT 2025`
Record UNII	31C8VKP686
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZOYLCHELIDONINE, (+)-

Common Name

English

(+)-BENZOYLCHELIDONINE [MI]

Preferred Name

English

(1,3)BENZODIOXOLO(5,6-C)-1,3-DIOXOLO(4,5-I)PHENANTHRIDIN-6-OL, 5B,6,7,12B,13,14-HEXAHYDRO-13-METHYL-, 6-BENZOATE, (5BR,6S,12BS)-

Systematic Name

English

Code System Code Type Description

CAS

436812-20-3

Created by admin on Mon Mar 31 22:37:20 GMT 2025 , Edited by admin on Mon Mar 31 22:37:20 GMT 2025

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MERCK INDEX

m3322

Created by admin on Mon Mar 31 22:37:20 GMT 2025 , Edited by admin on Mon Mar 31 22:37:20 GMT 2025

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Merck Index

PUBCHEM

10115294

Created by admin on Mon Mar 31 22:37:20 GMT 2025 , Edited by admin on Mon Mar 31 22:37:20 GMT 2025

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FDA UNII

31C8VKP686

Created by admin on Mon Mar 31 22:37:20 GMT 2025 , Edited by admin on Mon Mar 31 22:37:20 GMT 2025

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