CIGUATOXIN-3

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C60H86O18
Molecular Weight	1095.314
Optical Activity	UNSPECIFIED
Defined Stereocenters	32 / 32
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1[C@H](C)[C@@]2(CCCO2)O[C@@H]3[C@@H]1O[C@H]4C[C@H]5O[C@H]6C[C@H]7O[C@H]8CC=CC[C@H]9O[C@H]%10C=C[C@H]%11O[C@@H]%12[C@@H](C[C@@H]%11O[C@@H]%10C=C[C@@H]9O[C@@H]8C[C@@H](O)[C@]7(C)O[C@@H]6C[C@H](C)C[C@@H]5O[C@@H]4[C@@H](C)[C@@H]3O)O[C@H]%13CC=C[C@@H](O[C@@H]%13[C@H]%12O)\C=C\[C@H](O)CO

InChI

InChIKey=RWSYPPRKMNWNII-JECWBDJGSA-N

InChI=1S/C60H86O18/c1-29-22-42-44(25-48-54(75-42)31(3)52(64)58-55(76-48)30(2)32(4)60(78-58)20-9-21-66-60)72-46-27-51-59(5,77-47(46)23-29)50(63)26-45-36(73-51)12-7-6-11-35-37(70-45)16-17-39-38(68-35)18-19-40-43(69-39)24-49-57(74-40)53(65)56-41(71-49)13-8-10-34(67-56)15-14-33(62)28-61/h6-8,10,14-19,29-58,61-65H,9,11-13,20-28H2,1-5H3/b7-6-,15-14+/t29-,30+,31+,32+,33+,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44-,45-,46+,47-,48+,49-,50-,51-,52+,53-,54-,55-,56+,57-,58+,59+,60-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

CTX-3

Preferred Name

English

CIGUATOXIN-3

Common Name

English

CIGUATOXIN CTX 3

Common Name

English

CTX-3 [MI]

Common Name

English

CIGUATOXIN 3

Common Name

English

PACIFIC CIGUATOXIN 3

Common Name

English

52-EPICIGUATOXIN 2

Common Name

English

54-DEOXYCIGUATOXIN

Common Name

English

Code System Code Type Description

PUBCHEM

76966075