U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of MYROTOXIN B

SMILES

[H][C@]12C[C@H]3O[C@]4([H])C=C(C)[C@H](C[C@]4(COC(=O)[C@H]5O[C@@]56CCO\C(=C/CC=CC(=O)O1)[C@@H]6O)[C@]2(C)[C@]37CO7)OC(C)=O

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

Approval Year

Name Type Language
MYROTOXIN B
Common Name English
SATRATOXIN H, 8-(ACETYLOXY)-6',7'-DIDEHYDRO-6'-DE(1-HYDROXYETHYL)-2',3'-EPOXY-2',3',7',8'-TETRAHYDRO-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID101028587
Created by admin on Sat Dec 16 07:55:57 GMT 2023 , Edited by admin on Sat Dec 16 07:55:57 GMT 2023
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WIKIPEDIA
Myrotoxin B
Created by admin on Sat Dec 16 07:55:57 GMT 2023 , Edited by admin on Sat Dec 16 07:55:57 GMT 2023
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CAS
99486-49-4
Created by admin on Sat Dec 16 07:55:57 GMT 2023 , Edited by admin on Sat Dec 16 07:55:57 GMT 2023
PRIMARY
PUBCHEM
24846024
Created by admin on Sat Dec 16 07:55:57 GMT 2023 , Edited by admin on Sat Dec 16 07:55:57 GMT 2023
PRIMARY
FDA UNII
1PX13P7HGK
Created by admin on Sat Dec 16 07:55:57 GMT 2023 , Edited by admin on Sat Dec 16 07:55:57 GMT 2023
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