BELLADONNINE, .BETA.-

Details

Stereochemistry	RACEMIC
Molecular Formula	C34H42N2O4
Molecular Weight	542.7083
Optical Activity	( + / - )
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@@H]3CC[C@@](C(=O)O[C@@H]4C[C@@H]5CC[C@H](C4)N5C)(C6=CC=CC=C6)C7=C3C=CC=C7

InChI

InChIKey=GERIGMSHTUAXSI-IOQMWGFGSA-N

InChI=1S/C34H42N2O4/c1-35-23-12-13-24(35)19-27(18-23)39-32(37)30-16-17-34(22-8-4-3-5-9-22,31-11-7-6-10-29(30)31)33(38)40-28-20-25-14-15-26(21-28)36(25)2/h3-11,23-28,30H,12-21H2,1-2H3/t23-,24+,25-,26+,27+,28+,30-,34-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H42N2O4
Molecular Weight	542.7083
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:49:15 GMT 2023` Edited by `admin` on `Sat Dec 16 01:49:15 GMT 2023`
Record UNII	PR53M0MH3G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BELLADONNINE, .BETA.-

Common Name

English

.BETA.-BELLADONNINE

Common Name

English

.BETA.-ISATROPIC ACID DI-.ALPHA.-TROPANYL ESTER

Common Name

English

1,4-NAPHTHALENEDICARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-1-PHENYL-, BIS((3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL) ESTER, (1R,4R)-REL-

Common Name

English

(±)-.BETA.-BELLADONNINE

Common Name

English

1.ALPHA.H,5.ALPHA.H-TROPAN-3.ALPHA.-OL, CIS-1,2,3,4-TETRAHYDRO-1-PHENYL-1,4-NAPHTHALENEDICARBOXYLATE (ESTER) (2:1)

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID50217161

Created by admin on Sat Dec 16 01:49:15 GMT 2023 , Edited by admin on Sat Dec 16 01:49:15 GMT 2023

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FDA UNII

PR53M0MH3G

Created by admin on Sat Dec 16 01:49:15 GMT 2023 , Edited by admin on Sat Dec 16 01:49:15 GMT 2023

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PUBCHEM

21769909

Created by admin on Sat Dec 16 01:49:15 GMT 2023 , Edited by admin on Sat Dec 16 01:49:15 GMT 2023

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CAS

6696-63-5

Created by admin on Sat Dec 16 01:49:15 GMT 2023 , Edited by admin on Sat Dec 16 01:49:15 GMT 2023

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