PECTENOTOXIN 4

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C47H70O15
Molecular Weight	875.0497
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC[C@]3(CCC[C@]([H])(O3)[C@@H](C)C(=O)O[C@]4([H])C[C@]([H])(O[C@]4([H])\C=C\C(C)=C\[C@H](C)C[C@@]5(C)CC[C@@]([H])(O5)[C@@]67CC[C@@](CO)(C[C@@]([H])(O6)[C@@]8([H])O[C@](C)(CC8=O)[C@H]1O)O7)[C@@]9(O)OCC[C@@H](C)[C@H]9O)O2

InChI

InChIKey=KJWMGLBVDNMNQW-BCHNQXPQSA-N

InChI=1S/C47H70O15/c1-26-9-10-32-34(21-37(55-32)47(53)39(50)28(3)13-19-54-47)56-41(52)29(4)31-8-7-14-45(57-31)16-11-33(58-45)40(51)43(6)23-30(49)38(61-43)35-24-44(25-48)17-18-46(59-35,62-44)36-12-15-42(5,60-36)22-27(2)20-26/h9-10,20,27-29,31-40,48,50-51,53H,7-8,11-19,21-25H2,1-6H3/b10-9+,26-20+/t27-,28+,29+,31-,32+,33-,34+,35+,36+,37-,38-,39+,40-,42+,43+,44-,45-,46-,47+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C47H70O15
Molecular Weight	875.0497
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	19 / 19
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:32:01 GMT 2023` Edited by `admin` on `Sat Dec 16 18:32:01 GMT 2023`
Record UNII	6K4C6V4QST
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PECTENOTOXIN 4

Common Name

English

7,11:11,14:16,19:20,25:22,25:26,29-HEXAEPOXY-12H-FURO(3,2-B)OXACYCLOTETRATRIACONTIN-5,18(6H,13H)-DIONE, 2,3,3A,7,8,9,10,14,15,16,17,19,20,21,22,23,24,26,27,28,29,30,31,35A-TETRACOSAHYDRO-15-HYDROXY-22-(HYDROXYMETHYL)-6,16,29,31,33-PENTAMETHYL-2-((2S,3R,4

Systematic Name

English

PECTENOTOXIN-4

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID20893719

Created by admin on Sat Dec 16 18:32:01 GMT 2023 , Edited by admin on Sat Dec 16 18:32:01 GMT 2023

PRIMARY

CAS

97560-26-4

Created by admin on Sat Dec 16 18:32:01 GMT 2023 , Edited by admin on Sat Dec 16 18:32:01 GMT 2023

PRIMARY

FDA UNII

6K4C6V4QST

Created by admin on Sat Dec 16 18:32:01 GMT 2023 , Edited by admin on Sat Dec 16 18:32:01 GMT 2023

PRIMARY

PUBCHEM

6442167

Created by admin on Sat Dec 16 18:32:01 GMT 2023 , Edited by admin on Sat Dec 16 18:32:01 GMT 2023

PRIMARY