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

Details

Stereochemistry ABSOLUTE
Molecular Formula C33H42O14
Molecular Weight 662.6782
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of AZADIRACHTIN B

SMILES

[H][C@]12C[C@H]([C@]3(C)O[C@]13[C@]4(C)[C@H](O)[C@]5([H])OC[C@@]6([C@@H](C[C@H](O)[C@@]7(CO[C@H](C(=O)OC)[C@@]47[H])[C@@]56[H])OC(=O)C(\C)=C\C)C(=O)OC)[C@@]8(O)C=CO[C@@]8([H])O2

InChI

InChIKey=USRBWQQLHKQWAV-ZGKQVQOISA-N
InChI=1S/C33H42O14/c1-7-14(2)24(36)45-17-11-16(34)30-12-44-20(25(37)40-5)21(30)28(3,23(35)19-22(30)31(17,13-43-19)26(38)41-6)33-18-10-15(29(33,4)47-33)32(39)8-9-42-27(32)46-18/h7-9,15-23,27,34-35,39H,10-13H2,1-6H3/b14-7+/t15-,16+,17-,18+,19-,20+,21+,22-,23-,27+,28+,29+,30-,31+,32+,33+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
AZADIRACHTIN B
Common Name English
DEACETYLAZADIRACHTINOL
Common Name English
3-TIGLOYLAZADIRACHTOL
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 121700
Created by admin on Sat Dec 16 08:53:51 GMT 2023 , Edited by admin on Sat Dec 16 08:53:51 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID50910024
Created by admin on Sat Dec 16 08:53:51 GMT 2023 , Edited by admin on Sat Dec 16 08:53:51 GMT 2023
PRIMARY
FDA UNII
X5T1RMZ28I
Created by admin on Sat Dec 16 08:53:51 GMT 2023 , Edited by admin on Sat Dec 16 08:53:51 GMT 2023
PRIMARY
CAS
106500-25-8
Created by admin on Sat Dec 16 08:53:51 GMT 2023 , Edited by admin on Sat Dec 16 08:53:51 GMT 2023
PRIMARY
PUBCHEM
21725521
Created by admin on Sat Dec 16 08:53:51 GMT 2023 , Edited by admin on Sat Dec 16 08:53:51 GMT 2023
PRIMARY