Azadirachtin

CAS Registry Number®

11141-17-6
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CAS Name

Azadirachtin

Molecular Formula

C35H44O16

Molecular Mass

720.71

Cite this Page

Azadirachtin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=11141-17-6 (retrieved 2024-04-26) (CAS RN: 11141-17-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    155-158 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1

InChIKey

InChIKey=FTNJWQUOZFUQQJ-NDAWSKJSSA-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)=O)C[C@@H]7OC(/C(=C/C)/C)=O)[H])[H])CO[C@@]6(C(OC)=O)O)[H]

Canonical SMILES

O=C(OC1CC(OC(=O)C)C2(C(=O)OC)COC3C(O)C(C)(C4C(O)(OCC14C32)C(=O)OC)C56OC6(C)C7CC5OC8OC=CC87O)C(=CC)C

Other Names for this Substance

  • 1H,7H-Naphtho[1,8-bc:4,4a-c′]difuran-5,10a(8H)-dicarboxylic acid, 10-(acetyloxy)octahydro-3,5-dihydroxy-4-methyl-8-[[(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, 10-(acetyloxy)octahydro-3,5-dihydroxy-4-methyl-8-[(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,5α,7aS*,8β(E),10β,10aα,10bβ]]-
  • 1H,7H-Naphtho[1,8-bc:4,4a-c′]difuran-5,10a(8H)-dicarboxylic acid, 10-(acetyloxy)octahydro-3,5-dihydroxy-4-methyl-8-[[(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.
  • Azadirachtin A

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Deleted or Replaced CAS Registry Numbers

55890-15-8, 61812-38-2, 95507-01-0, 176087-48-2, 176087-49-3, 189284-01-3, 672288-51-6

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