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

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]8C\C=C\C[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=C

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 `Tue Apr 01 17:47:04 GMT 2025` Edited by `admin` on `Tue Apr 01 17:47:04 GMT 2025`
Record UNII	P251446IXQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SCARITOXIN

Common Name

English

52-EPI-CIGUATOXIN 4B

Preferred Name

English

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

Systematic Name

English

TOXIN SG1

Common Name

English

CIGUATOXIN 4A

Common Name

English

CTX 4A

Common Name

English

Code System Code Type Description

FDA UNII

P251446IXQ

Created by admin on Tue Apr 01 17:47:04 GMT 2025 , Edited by admin on Tue Apr 01 17:47:04 GMT 2025

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EPA CompTox

DTXSID40880106

Created by admin on Tue Apr 01 17:47:04 GMT 2025 , Edited by admin on Tue Apr 01 17:47:04 GMT 2025

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CAS

66231-73-0

Created by admin on Tue Apr 01 17:47:04 GMT 2025 , Edited by admin on Tue Apr 01 17:47:04 GMT 2025

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PUBCHEM

6437372

Created by admin on Tue Apr 01 17:47:04 GMT 2025 , Edited by admin on Tue Apr 01 17:47:04 GMT 2025

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