Azadirachtin B

CAS Registry Number®

106500-25-8
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CAS Name

Azadirachtin B

Molecular Formula

C33H42O14

Molecular Mass

662.68

Cite this Page

Azadirachtin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=106500-25-8 (retrieved 2024-06-25) (CAS RN: 106500-25-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=USRBWQQLHKQWAV-ZGKQVQOISA-N

SMILES

C[C@]1([C@@]23[C@@](C)(O2)[C@]4(C[C@@]3(O[C@]5([C@]4(O)C=CO5)[H])[H])[H])[C@]6([C@@]7([C@]8([C@]([C@H]1O)(OC[C@]8(C(OC)=O)[C@H](OC(/C(=C/C)/C)=O)C[C@@H]7O)[H])[H])CO[C@@H]6C(OC)=O)[H]

Canonical SMILES

O=C(OC1CC(O)C23COC(C(=O)OC)C2C(C)(C(O)C4OCC1(C(=O)OC)C43)C56OC6(C)C7CC5OC8OC=CC87O)C(=CC)C

Other Names for this Substance

  • 7H,8H-Furo[3′,4′:4,4a]naphtho[1,8-bc]furan-5,10a(1H)-dicarboxylic acid, octahydro-3,8-dihydroxy-4-methyl-10-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-4-[(1aR,2S,3aS,6aS,7S,7aS)-3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]-, 5,10a-dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-
  • 1H,7H-Naphtho[1,8-bc:4,4a-c′]difuran-5,10a(8H)-dicarboxylic acid, octahydro-3,8-dihydroxy-4-methyl-10-[(2-methyl-1-oxo-2-butenyl)oxy]-4-(3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-, dimethyl ester, [2aR-[2aα,3β,4β(1aR*,2S*,3aS*,6aS*,7S*,7aS*),4aβ,5β,7aS*,8β,10β(E),10aα,10bβ]]-
  • 1H,7H-Naphtho[1,8-bc:4,4a-c′]difuran-5,10a(8H)-dicarboxylic acid, octahydro-3,8-dihydroxy-4-methyl-10-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-4-[(1aR,2S,3aS,6aS,7S,7aS)-3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]-, dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-
  • 2,7-Methanofuro[2,3-b]oxireno[e]oxepin, 1H,7H-naphtho[1,8-bc:4,4a-c′]difuran-5,10a(8H)-dicarboxylic acid deriv.
  • 3-Tigloylazadirachtol

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Deleted or Replaced CAS Registry Numbers

94410-21-6, 95507-03-2

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