PASPALITREM C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H39NO4
Molecular Weight	501.6564
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)=CCC1=CC=CC2=C1C3=C(N2)[C@@]4(C)[C@H](C3)CC[C@@]5(O)C6=CC(=O)[C@@H]7O[C@@]6(CC[C@]45C)OC7(C)C

InChI

InChIKey=MXOIVWLOTRYIQC-TZHHUJIHSA-N

InChI=1S/C32H39NO4/c1-18(2)10-11-19-8-7-9-22-25(19)21-16-20-12-13-31(35)24-17-23(34)27-28(3,4)37-32(24,36-27)15-14-29(31,5)30(20,6)26(21)33-22/h7-10,17,20,27,33,35H,11-16H2,1-6H3/t20-,27-,29+,30+,31+,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H39NO4
Molecular Weight	501.6564
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 21:48:55 GMT 2025` Edited by `admin` on `Mon Mar 31 21:48:55 GMT 2025`
Record UNII	44ZSF8JL8Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PASPALITREM C

Common Name

English

4-(3-METHYL-2-BUTENYL)PASPALININE

Preferred 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-5B-HYDROXY-2,2,13B,13C-TETRAMETHYL-9-(3-METHYL-2-BUTENYL)-, (3R,5BS,7AS,13BS,13CR,15AS)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

9848881

Created by admin on Mon Mar 31 21:48:55 GMT 2025 , Edited by admin on Mon Mar 31 21:48:55 GMT 2025

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CAS

90866-61-8

Created by admin on Mon Mar 31 21:48:55 GMT 2025 , Edited by admin on Mon Mar 31 21:48:55 GMT 2025

PRIMARY

EPA CompTox

DTXSID90920107

Created by admin on Mon Mar 31 21:48:55 GMT 2025 , Edited by admin on Mon Mar 31 21:48:55 GMT 2025

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FDA UNII

44ZSF8JL8Y

Created by admin on Mon Mar 31 21:48:55 GMT 2025 , Edited by admin on Mon Mar 31 21:48:55 GMT 2025

PRIMARY