calycanthidine, (+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H28N4
Molecular Weight	360.4952
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1CC[C@]2([C@@H]1NC3=CC=CC=C23)[C@]45CCN(C)[C@H]4N(C)C6=CC=CC=C56

InChI

InChIKey=GSQUXSFTXJRLQJ-LDVJMBRRSA-N

InChI=1S/C23H28N4/c1-25-14-12-22(16-8-4-6-10-18(16)24-20(22)25)23-13-15-26(2)21(23)27(3)19-11-7-5-9-17(19)23/h4-11,20-21,24H,12-15H2,1-3H3/t20-,21+,22+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H28N4
Molecular Weight	360.4952
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 `Wed Apr 02 05:22:38 GMT 2025` Edited by `admin` on `Wed Apr 02 05:22:38 GMT 2025`
Record UNII	YRT94KMX97
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

calycanthidine, (+)-

Common Name

English

Calycanthidine

Preferred Name

English

(3aR,3?aR,8aS,8?aR)-2,2?,3,3?,8,8?,8a,8?a-Octahydro-1,1?,8-trimethyl-3a,3?a(1H,1?H)-bipyrrolo[2,3-b]indole

Systematic Name

English

3a,3?a(1H,1?H)-Bipyrrolo[2,3-b]indole, 2,2?,3,3?,8,8?,8a,8?a-octahydro-1,1?,8-trimethyl-, (3aR,3?aR,8aS,8?aR)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90970501

Created by admin on Wed Apr 02 05:22:38 GMT 2025 , Edited by admin on Wed Apr 02 05:22:38 GMT 2025

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CAS

5516-85-8

Created by admin on Wed Apr 02 05:22:38 GMT 2025 , Edited by admin on Wed Apr 02 05:22:38 GMT 2025

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FDA UNII

YRT94KMX97

Created by admin on Wed Apr 02 05:22:38 GMT 2025 , Edited by admin on Wed Apr 02 05:22:38 GMT 2025

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PUBCHEM

442031

Created by admin on Wed Apr 02 05:22:38 GMT 2025 , Edited by admin on Wed Apr 02 05:22:38 GMT 2025

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