PASPALINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H39NO2
Molecular Weight	421.6148
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
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@]6([H])O[C@@H](CC[C@@]6(C)[C@]5([H])CC2)C(C)(C)O

InChI

InChIKey=WLAIEIMDXUAGPY-HSECPPETSA-N

InChI=1S/C28H39NO2/c1-25(2,30)22-12-14-26(3)21-11-10-17-16-19-18-8-6-7-9-20(18)29-24(19)28(17,5)27(21,4)15-13-23(26)31-22/h6-9,17,21-23,29-30H,10-16H2,1-5H3/t17-,21-,22-,23-,26-,27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H39NO2
Molecular Weight	421.6148
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:55:28 GMT 2023` Edited by `admin` on `Fri Dec 15 17:55:28 GMT 2023`
Record UNII	3Q9SGU351D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PASPALINE

Common Name

English

(-)-PASPALINE

Common Name

English

2H-1-BENZOPYRANO(5',6':6,7)INDENO(1,2-B)INDOLE-2-METHANOL, 3,4,4A,4B,5,6,6A,7,12,12B,12C,13,14,14A-TETRADECAHYDRO-.ALPHA.,.ALPHA.,4A,12B,12C-PENTAMETHYL-, (2S,4AS,4BR,6AS,12BS,12CS,14AS)-

Systematic Name

English

PASPALIN

Common Name

English

(2S,4AS,4BR,6AS,12BS,12CS,14AS)-3,4,4A,4B,5,6,6A,7,12,12B,12C,13,14,14A-TETRADECAHYDRO-.ALPHA.,.ALPHA.,4A,12B,12C-PENTAMETHYL-2H-1-BENZOPYRANO(5',6':6,7)INDENO(1,2-B)INDOLE-2-METHANOL

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70911553

Created by admin on Fri Dec 15 17:55:28 GMT 2023 , Edited by admin on Fri Dec 15 17:55:28 GMT 2023

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FDA UNII

3Q9SGU351D

Created by admin on Fri Dec 15 17:55:28 GMT 2023 , Edited by admin on Fri Dec 15 17:55:28 GMT 2023

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PUBCHEM

115028

Created by admin on Fri Dec 15 17:55:28 GMT 2023 , Edited by admin on Fri Dec 15 17:55:28 GMT 2023

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CAS

11024-56-9

Created by admin on Fri Dec 15 17:55:28 GMT 2023 , Edited by admin on Fri Dec 15 17:55:28 GMT 2023

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