DINOPHYSISTOXIN 2

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H68O13
Molecular Weight	805.0029
Optical Activity	UNSPECIFIED
Defined Stereocenters	17 / 17
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(CCC[C@@]2(OCCC[C@H]2C)O1)[C@@H](C)C[C@H](O)[C@@]3([H])O[C@]4([H])CC[C@@]5(CC[C@@H](O5)\C=C\[C@@H](C)[C@]6([H])CC(C)=C[C@@]7(O[C@H](C[C@@](C)(O)C(O)=O)CC[C@H]7O)O6)O[C@@]4([H])[C@H](O)C3=C

InChI

InChIKey=BRFKTXCAUCYQBT-KIXJXINUSA-N

InChI=1S/C44H68O13/c1-25-21-35(56-44(23-25)36(46)14-13-31(54-44)24-41(6,50)40(48)49)26(2)11-12-30-15-18-42(53-30)19-16-34-39(57-42)37(47)29(5)38(52-34)32(45)22-27(3)33-10-7-17-43(55-33)28(4)9-8-20-51-43/h11-12,23,26-28,30-39,45-47,50H,5,7-10,13-22,24H2,1-4,6H3,(H,48,49)/b12-11+/t26-,27+,28-,30+,31+,32+,33+,34-,35+,36-,37-,38+,39-,41-,42-,43-,44-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C44H68O13
Molecular Weight	805.0029
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	17 / 17
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:57:15 GMT 2023` Edited by `admin` on `Sat Dec 16 01:57:15 GMT 2023`
Record UNII	RH78DHY1JZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DINOPHYSISTOXIN 2

Common Name

English

ACANTHIFOLICIN, 9,10-DEEPITHIO-9,10-DIDEHYDRO-31-DEMETHYL-35-METHYL-, (35R)-

Common Name

English

DTX-2

Common Name

English

J531.104G

Code

English

(35R)-9,45-SECO-10-DEMERCAPTO-9,10-DIDEHYDRO-35-METHYL-39-NORACANTHIFOLICIN

Common Name

English

Classification Tree

Code System

Code

BAD BUG BOOK

DTX 2

Code System Code Type Description

EPA CompTox

DTXSID50893702