AZADIRACHTIN B

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 Search

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

Molecular Formula	C33H42O14
Molecular Weight	662.6782
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 16
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:53:51 GMT 2023` Edited by `admin` on `Sat Dec 16 08:53:51 GMT 2023`
Record UNII	X5T1RMZ28I
Record Status	`Validated (UNII)`
Record Version

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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