PASPALICINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H31NO3
Molecular Weight	417.5399
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1(C)O[C@@]23CC[C@@]4(C)[C@@H](CC[C@H]5CC6=C(NC7=C6C=CC=C7)[C@]45C)C2=CC(=O)[C@@H]1O3

InChI

InChIKey=HSFKQYJRJBEWKH-XTHGXZEWSA-N

InChI=1S/C27H31NO3/c1-24(2)23-21(29)14-19-18-10-9-15-13-17-16-7-5-6-8-20(16)28-22(17)26(15,4)25(18,3)11-12-27(19,30-23)31-24/h5-8,14-15,18,23,28H,9-13H2,1-4H3/t15-,18-,23-,25-,26+,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H31NO3
Molecular Weight	417.5399
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:20:19 GMT 2025` Edited by `admin` on `Mon Mar 31 23:20:19 GMT 2025`
Record UNII	J35628M7AA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(+)-PASPALICINE

Preferred Name

English

PASPALICINE

Common Name

English

4H-3,15A-EPOXY-1-BENZOXEPINO(6',7':6,7)INDENO(1,2-B)INDOL-4-ONE, 2,3,5B,6,7,7A,8,13,13B,13C,14,15-DODECAHYDRO-2,2,13B,13C-TETRAMETHYL-, (3R,5BR,7AS,13BS,13CS,15AS)-

Systematic Name

English

4H-3,15A-EPOXY-1-BENZOXEPINO(6',7':6,7)INDENO(1,2-B)INDOL-4-ONE, 2,3,5B,6,7,7A,8,13,13B,13C,14,15-DODECAHYDRO-2,2,13B,13C-TETRAMETHYL-, (3R-(3.ALPHA.,5B.ALPHA.,7A.BETA.,13B.ALPHA.,13C.BETA.,15A.ALPHA.))-

Systematic Name

English

PASPALICIN

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID10911552

Created by admin on Mon Mar 31 23:20:19 GMT 2025 , Edited by admin on Mon Mar 31 23:20:19 GMT 2025

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PUBCHEM

14733160

Created by admin on Mon Mar 31 23:20:19 GMT 2025 , Edited by admin on Mon Mar 31 23:20:19 GMT 2025

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FDA UNII

J35628M7AA

Created by admin on Mon Mar 31 23:20:19 GMT 2025 , Edited by admin on Mon Mar 31 23:20:19 GMT 2025

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CAS

11024-55-8

Created by admin on Mon Mar 31 23:20:19 GMT 2025 , Edited by admin on Mon Mar 31 23:20:19 GMT 2025

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