Dihydroazadirachtin

CAS Registry Number®

108189-58-8
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CAS Name

Dihydroazadirachtin

Molecular Formula

C35H46O16

Molecular Mass

722.73

Cite this Page

Dihydroazadirachtin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=108189-58-8 (retrieved 2024-05-17) (CAS RN: 108189-58-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H46O16/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/h8,17-23,25,28,37,41-42H,9-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28-,29-,30+,31+,32+,33+,34+,35+/m1/s1

InChIKey

InChIKey=YYUQYZBOLGNTQG-PLXAPUFNSA-N

SMILES

C[C@]1([C@@]23[C@@](C)(O2)[C@]4(C[C@@]3(O[C@@]5([C@]4(O)CCO5)[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)C7CC5OC8OCCC87O)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, 10-(acetyloxy)-4-[(1aR,2S,3aR,6aS,7S,7aS)-hexahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]octahydro-3,5-dihydroxy-4-methyl-8-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-, 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)-4-(hexahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)octahydro-3,5-dihydroxy-4-methyl-8-[(2-methyl-1-oxo-2-butenyl)oxy]-, dimethyl ester, [2aR-[2aα,3β,4β(1aR*,2S*,3aR*,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)-4-[(1aR,2S,3aR,6aS,7S,7aS)-hexahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]octahydro-3,5-dihydroxy-4-methyl-8-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-, 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.
  • 22,23-Dihydroazadirachtin

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Deleted or Replaced CAS Registry Numbers

37324-45-1

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