MYROTOXIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H34O11
Molecular Weight	558.5737
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)O[C@H]1C[C@@]23COC(=O)[C@H]4O[C@@]45CCO\C(=C/CC=CC(=O)O[C@@H]6C[C@@H](O[C@@H]2C=C1C)[C@@]7(CO7)[C@@]36C)[C@@H]5O

InChI

InChIKey=BDPRKFBFVAVFJK-NBEUFRNYSA-N

InChI=1S/C29H34O11/c1-15-10-20-27(12-18(15)37-16(2)30)13-35-25(33)24-28(40-24)8-9-34-17(23(28)32)6-4-5-7-22(31)39-19-11-21(38-20)29(14-36-29)26(19,27)3/h5-7,10,18-21,23-24,32H,4,8-9,11-14H2,1-3H3/b7-5-,17-6-/t18-,19+,20+,21+,23-,24+,26+,27+,28+,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H34O11
Molecular Weight	558.5737
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:46:25 GMT 2025` Edited by `admin` on `Mon Mar 31 21:46:25 GMT 2025`
Record UNII	1PX13P7HGK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SATRATOXIN H, 8-(ACETYLOXY)-6',7'-DIDEHYDRO-6'-DE(1-HYDROXYETHYL)-2',3'-EPOXY-2',3',7',8'-TETRAHYDRO-

Preferred Name

English

MYROTOXIN B

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID101028587