11α,12α-Epoxy-3β,23-dihydroxy-30-norolean-20(29)-en-28,13β-olide | CAS 186140-36-3 | AnyMol

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HIT214315498

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HIT214315498

HIT ID:HIT214315498
Cas No:186140-36-3
常用名:11α,12α-Epoxy-3β,23-dihydroxy-30-norolean-20(29)-en-28,13β-olide
常用名:11α,12α-Epoxy-3β,23-dihydroxy-30-norolean-20(29)-en-28,13β-olide
IUPAC:(1S,2S,4S,5R,6S,9S,10R,11R,14R,15S,18S,23R)-9-hydroxy-10-(hydroxymethyl)-6,10,14,15-tetramethyl-21-methylidene-3,24-dioxaheptacyclo[16.5.2.0^{1,15}.0^{2,4}.0^{5,14}.0^{6,11}.0^{18,23}]pentacosan-25-one
IUPAC:(1S,2S,4S,5R,6S,9S,10R,11R,14R,15S,18S,23R)-9-hydroxy-10-(hydroxymethyl)-6,10,14,15-tetramethyl-21-methylidene-3,24-dioxaheptacyclo[16.5.2.0^{1,15}.0^{2,4}.0^{5,14}.0^{6,11}.0^{18,23}]pentacosan-25-one
InChI key:WYALGIWVJKDMAS-FJHCYMANSA-N

分子式:C29H42O5
分子量:470.65
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12O[C@]1([H])[C@]13OC(=O)[C@@]4(CCC(=C)C[C@@]14[H])CC[C@@]3(C)[C@]1(C)CC[C@@]3([H])[C@](C)(CO)[C@@H](O)CC[C@]3(C)[C@@]21[H]
SMILES:[H][C@@]12O[C@]1([H])[C@]13OC(=O)[C@@]4(CCC(=C)C[C@@]14[H])CC[C@@]3(C)[C@]1(C)CC[C@@]3([H])[C@](C)(CO)[C@@H](O)CC[C@]3(C)[C@@]21[H]

11α,12α-Epoxy-3β,23-dihydroxy-30-norolean-20(29)-en-28,13β-olide is a natural product from Paeonia lactiflora.

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¥ 5,510.00
1

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