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Substance Name: Azadirachtin B
RN: 106500-25-8
UNII: X5T1RMZ28I
InChIKey: USRBWQQLHKQWAV-ZGKQVQOISA-N

Molecular Formula

  • C33-H42-O14

Molecular Weight

  • 662.6808
 
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Names and Synonyms

Name of Substance

  • Azadirachtin B

Synonyms

  • Deacetylazadirachtinol
  • UNII-X5T1RMZ28I

Systematic Name

  • Azadirachtinol deacetyl

Registry Numbers

CAS Registry Number

  • 106500-25-8

FDA UNII

  • X5T1RMZ28I

Other Registry Number

  • 94410-21-6

System Generated Number

  • 0106500258

Structure Descriptors

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

InChIKey

USRBWQQLHKQWAV-ZGKQVQOISA-N

Smiles

COC(=O)[C@H]1OC[C@@]23[C@@H](O)C[C@@H](OC(=O)\C(=C\C)\C)[C@]4(CO[C@@H]([C@@H](O)[C@](C)([C@H]12)[C@]56O[C@@]5(C)[C@H]7C[C@@H]6O[C@@H]8OC=C[C@]78O)[C@H]34)C(=O)OC