Odoratone | CAS 16962-90-6 | AnyMole

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HIT214316088

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HIT214316088

HIT ID:HIT214316088
Cas No:16962-90-6
常用名:Odoratone
IUPAC:(1S,3aS,5aR,9aR,9bR,11aS)-1-[(1R)-1-[(2R,3R,4S)-3,4-dihydroxy-5,5-dimethyloxolan-2-yl]ethyl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC:(1S,3aS,5aR,9aR,9bR,11aS)-1-[(1R)-1-[(2R,3R,4S)-3,4-dihydroxy-5,5-dimethyloxolan-2-yl]ethyl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
InChI key:QVEUBDDZMCFHNJ-BZXSMNKYSA-N

分子式:C30H48O4
分子量:472.71
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(OC(C)(C)[C@@H](O)[C@H]1O)[C@H](C)[C@]1([H])CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C |t:19|
SMILES:[H][C@@]1(OC(C)(C)[C@@H](O)[C@H]1O)[C@H](C)[C@]1([H])CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C |t:19|

Odoratone shows insecticidal activities, it shows mortality on fourth instar larvae of mosquitoes (Anopheles stephensi) with LC(50) values of 154 ppm. Odoratone exhibits strong antifeedant activity against Pieris brassicae.

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TargetMolSC
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¥ 3,330.00
1

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