SCARITOXIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C60H84O16
Molecular Weight	1061.2994
Optical Activity	UNSPECIFIED
Defined Stereocenters	31 / 31
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(CCCO%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])C\C=C\C[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=C)C=CC[C@]%13([H])O2

InChI

InChIKey=QFYRPKKCVYDHFZ-FKFYNGSCSA-N

InChI=1S/C60H84O16/c1-7-8-13-34-14-11-17-41-56(65-34)53(63)57-49(69-41)26-43-40(72-57)21-20-38-39(67-43)19-18-37-35(66-38)15-9-10-16-36-45(68-37)28-50(61)59(6)51(71-36)29-46-47(75-59)25-30(2)24-42-44(70-46)27-48-54(73-42)32(4)52(62)58-55(74-48)31(3)33(5)60(76-58)22-12-23-64-60/h7-11,13-14,18-21,30-58,61-63H,1,12,15-17,22-29H2,2-6H3/b10-9+,13-8+/t30-,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	C60H84O16
Molecular Weight	1061.2994
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	31 / 31
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:00:56 GMT 2023` Edited by `admin` on `Sat Dec 16 12:00:56 GMT 2023`
Record UNII	P251446IXQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SCARITOXIN

Common Name

English

CIGUATOXIN, 1,2-DIDEHYDRO-1,2,54-TRIDEOXY-, (52S)-

Systematic Name

English

TOXIN SG1

Common Name

English

CIGUATOXIN 4A

Common Name

English

52-EPI-CIGUATOXIN 4B

Common Name

English

CTX 4A

Common Name

English

Code System Code Type Description

FDA UNII

P251446IXQ

Created by admin on Sat Dec 16 12:00:56 GMT 2023 , Edited by admin on Sat Dec 16 12:00:56 GMT 2023

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EPA CompTox

DTXSID40880106

Created by admin on Sat Dec 16 12:00:56 GMT 2023 , Edited by admin on Sat Dec 16 12:00:56 GMT 2023

PRIMARY

CAS

66231-73-0

Created by admin on Sat Dec 16 12:00:56 GMT 2023 , Edited by admin on Sat Dec 16 12:00:56 GMT 2023

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PUBCHEM

6437372

Created by admin on Sat Dec 16 12:00:56 GMT 2023 , Edited by admin on Sat Dec 16 12:00:56 GMT 2023

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