CIGUATOXIN-1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C60H86O19
Molecular Weight	1111.3134
Optical Activity	UNSPECIFIED
Defined Stereocenters	33 / 33
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@]3([H])O[C@]4([H])C=C[C@]5([H])O[C@]6([H])C[C@@H](O)[C@]7(C)O[C@]8([H])C[C@H](C)C[C@]9([H])O[C@]%10([H])[C@@H](C)[C@H](O)[C@]%11([H])O[C@]%12(C[C@H](O)CO%12)[C@@H](C)[C@H](C)[C@@]%11([H])O[C@@]%10([H])C[C@@]9([H])O[C@@]8([H])C[C@@]7([H])O[C@@]6([H])CC=CC[C@@]5([H])O[C@@]4([H])C=C[C@@]3([H])O[C@@]1([H])[C@H](O)[C@@]%13([H])O[C@@H](\C=C\[C@H](O)CO)C=CC[C@]%13([H])O2

InChI

InChIKey=VYVRIXWNTVOIRD-LRHBOZQDSA-N

InChI=1S/C60H86O19/c1-28-19-42-44(22-48-54(76-42)30(3)52(65)58-55(77-48)29(2)31(4)60(79-58)25-33(63)27-67-60)73-46-24-51-59(5,78-47(46)20-28)50(64)23-45-36(74-51)11-7-6-10-35-37(71-45)15-16-39-38(69-35)17-18-40-43(70-39)21-49-57(75-40)53(66)56-41(72-49)12-8-9-34(68-56)14-13-32(62)26-61/h6-9,13-18,28-58,61-66H,10-12,19-27H2,1-5H3/b7-6-,14-13+/t28-,29+,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

Molecular Formula	C60H86O19
Molecular Weight	1111.3134
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	33 / 33
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:34:32 GMT 2023` Edited by `admin` on `Sat Dec 16 09:34:32 GMT 2023`
Record UNII	2UKQ3B7696
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CIGUATOXIN-1

Common Name

English

CIGUATOXIN 1B

Common Name

English

CTX-1

Common Name

English

PACIFIC CIGUATOXIN 1

Common Name

English

CIGUATOXIN

Common Name

English

P-CTX 1

Common Name

English

CTX-1 [MI]

Common Name

English

CIGUATOXIN CTX 1

Common Name

English

Code System Code Type Description

CHEBI

36467