WIKSTROTOXIN D

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H44O8
Molecular Weight	532.6656
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12O[C@]3(CCCCCCCCC)O[C@]1(C[C@@H](C)[C@]4(O3)[C@]5([H])C=C(C)C(=O)[C@@]5(O)[C@H](O)[C@@]6(CO)O[C@H]6[C@@]24[H])C(C)=C

InChI

InChIKey=JAQJQYMDHBSCKO-JDVVNZBPSA-N

InChI=1S/C30H44O8/c1-6-7-8-9-10-11-12-13-28-36-23-21-24-27(16-31,35-24)25(33)29(34)20(14-18(4)22(29)32)30(21,38-28)19(5)15-26(23,37-28)17(2)3/h14,19-21,23-25,31,33-34H,2,6-13,15-16H2,1,3-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28-,29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H44O8
Molecular Weight	532.6656
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:48:37 GMT 2023` Edited by `admin` on `Sat Dec 16 09:48:37 GMT 2023`
Record UNII	9QZ71FI0LO
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

WIKSTROTOXIN D

Common Name

English

(2S,3AR,3BS,3CS,4AR,5S,5AS,8AR,8BR,9R,10AR)-5,5A-DIHYDROXY-4A-(HYDROXYMETHYL)-7,9-DIMETHYL-2-NONYL-10A-(PROP-1-EN-2-YL)-3A,3B,3C,4A,5,5A,8A,9,10,10A-DECAHYDRO-6H-2,8B-EPOXYOXIRENO(6,7)AZULENO(5,4-E)(1,3)BENZODIOXOL-6-ONE

Systematic Name

English

(1R,2R,6S,7S,8R,10S,11S,12R,14S,16R,18R)-6,7-DIHYDROXY-8-(HYDROXYMETHYL)-16-ISOPROPENYL-4,18-DIMETHYL-14-NONYL-9,13,15,19-TETRAOXAHEXACYCLO(12.4.1.01,11.0(SUP 2,6).0(SUP 8,10).0(SUP 12,16))NONADEC-3-EN-5-ONE

Systematic Name

English

DAPHNOPSIS FACTOR R3

Common Name

English

J37.161K

Code

English

PIMELEA FACTOR P1

Common Name

English

SIMPLEXIN

Common Name

English

6H-2,8B-EPOXYOXIRENO(6,7)AZULENO(5,4-E)-1,3-BENZODIOXOL-6-ONE, 3A,3B,3C,4A,5,5A,8A,9,10,10A-DECAHYDRO-5,5A-DIHYDROXY-4A-(HYDROXYMETHYL)-7,9-DIMETHYL-10A-(1-METHYLETHENYL)-2-NONYL-, (2S,3AR,3BS,3CS,4AR,5S,5AS,8AR,8BR,9R,10AR)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90930781

Created by admin on Sat Dec 16 09:48:37 GMT 2023 , Edited by admin on Sat Dec 16 09:48:37 GMT 2023

PRIMARY

FDA UNII

9QZ71FI0LO

Created by admin on Sat Dec 16 09:48:37 GMT 2023 , Edited by admin on Sat Dec 16 09:48:37 GMT 2023

PRIMARY

CAS

1404-62-2

Created by admin on Sat Dec 16 09:48:37 GMT 2023 , Edited by admin on Sat Dec 16 09:48:37 GMT 2023

PRIMARY

PUBCHEM

119045

Created by admin on Sat Dec 16 09:48:37 GMT 2023 , Edited by admin on Sat Dec 16 09:48:37 GMT 2023

PRIMARY