DINOPHYSISTOXIN 1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H70O13
Molecular Weight	819.0295
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 18
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](C[C@H](O)[C@H]1O[C@@H]2CC[C@@]3(CC[C@@H](O3)\C=C\[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(O)=O)CC[C@H]5O)O4)O[C@H]2[C@H](O)C1=C)[C@H]6O[C@@]7(CC[C@H]6C)OCCC[C@H]7C

InChI

InChIKey=CLBIEZBAENPDFY-HNXGFDTJSA-N

InChI=1S/C45H70O13/c1-25-21-35(56-45(23-25)36(47)13-12-32(55-45)24-42(7,51)41(49)50)26(2)10-11-31-15-17-43(54-31)18-16-34-40(57-43)37(48)30(6)39(53-34)33(46)22-28(4)38-27(3)14-19-44(58-38)29(5)9-8-20-52-44/h10-11,23,26-29,31-40,46-48,51H,6,8-9,12-22,24H2,1-5,7H3,(H,49,50)/b11-10+/t26-,27-,28+,29-,31+,32+,33+,34-,35+,36-,37-,38+,39+,40-,42-,43-,44-,45-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C45H70O13
Molecular Weight	819.0295
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	18 / 18
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:46:16 GMT 2025` Edited by `admin` on `Mon Mar 31 21:46:16 GMT 2025`
Record UNII	4Q51CVY9O2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DINOPHYSISTOXIN 1

Common Name

English

35-METHYLOKADAIC ACID

Preferred Name

English

DTX 1

Common Name

English

Classification Tree

Code System

Code

BAD BUG BOOK

DTX 1

Code System Code Type Description

CAS

81720-10-7