PASPALININE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H31NO4
Molecular Weight	433.5393
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC3=C(NC4=CC=CC=C34)[C@]1(C)[C@@]5(C)CC[C@@]67O[C@@H](C(=O)C=C6[C@]5(O)CC2)C(C)(C)O7

InChI

InChIKey=BPTIXFRJAOKMRK-SAMRHTEJSA-N

InChI=1S/C27H31NO4/c1-23(2)22-19(29)14-20-26(30)10-9-15-13-17-16-7-5-6-8-18(16)28-21(17)25(15,4)24(26,3)11-12-27(20,31-22)32-23/h5-8,14-15,22,28,30H,9-13H2,1-4H3/t15-,22-,24+,25+,26+,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H31NO4
Molecular Weight	433.5393
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 `Sat Dec 16 10:36:15 GMT 2023` Edited by `admin` on `Sat Dec 16 10:36:15 GMT 2023`
Record UNII	D97Q5DS722
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PASPALININE

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

Systematic Name

English

(+)-PASPALININE

Common Name

English

PASPALININ

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-5B-HYDROXY-2,2,13B,13C-TETRAMETHYL-, (3R-(3.ALPHA.,5B.ALPHA.,7A.BETA.,13B.ALPHA.,13C.BETA.,15A.ALPHA.))-

Systematic Name

English

11-HYDROXYPASPALICINE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID00980176

Created by admin on Sat Dec 16 10:36:15 GMT 2023 , Edited by admin on Sat Dec 16 10:36:15 GMT 2023

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PUBCHEM

9867531

Created by admin on Sat Dec 16 10:36:15 GMT 2023 , Edited by admin on Sat Dec 16 10:36:15 GMT 2023

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FDA UNII

D97Q5DS722

Created by admin on Sat Dec 16 10:36:15 GMT 2023 , Edited by admin on Sat Dec 16 10:36:15 GMT 2023

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CAS

63722-91-8

Created by admin on Sat Dec 16 10:36:15 GMT 2023 , Edited by admin on Sat Dec 16 10:36:15 GMT 2023

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