Name: 1-O-Deacetyl-2alpha-hydroxykhayanolide E
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HIT ID:HIT214315489
Cas No:1189801-51-1
常用名:1-O-Deacetyl-2alpha-hydroxykhayanolide E
常用名:1-O-Deacetyl-2alpha-hydroxykhayanolide E
IUPAC:methyl (2S)-2-[(1S,2S,3S,4R,7S,8S,12R,14R,16R,17R,18S)-8-(furan-3-yl)-1,3,14-trihydroxy-7,16,18-trimethyl-10,15-dioxo-9,13-dioxahexacyclo[14.2.1.0^{2,14}.0^{3,12}.0^{4,18}.0^{7,12}]nonadecan-17-yl]-2-hydroxyacetate
IUPAC:methyl (2S)-2-[(1S,2S,3S,4R,7S,8S,12R,14R,16R,17R,18S)-8-(furan-3-yl)-1,3,14-trihydroxy-7,16,18-trimethyl-10,15-dioxo-9,13-dioxahexacyclo[14.2.1.0^{2,14}.0^{3,12}.0^{4,18}.0^{7,12}]nonadecan-17-yl]-2-hydroxyacetate
InChI key:ZDUBHZUNBSRUQC-UVQHVSCZSA-N

分子式:C27H32O11
分子量:532.542
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CC[C@@]3(C)[C@@]([H])(OC(=O)C[C@@]33O[C@@]4(O)C(=O)[C@]5(C)C[C@](O)([C@@]4([H])[C@@]13O)[C@@]2(C)[C@@]5([H])[C@H](O)C(=O)OC)c1ccoc1 |TLB:28:27:23.14.16:20,15:14:20:27.29,31:29:23.14.16:20,THB:25:23:20:27.29,1:27:23.14.16:20,13:14:20:27.29|
SMILES:[H][C@]12CC[C@@]3(C)[C@@]([H])(OC(=O)C[C@@]33O[C@@]4(O)C(=O)[C@]5(C)C[C@](O)([C@@]4([H])[C@@]13O)[C@@]2(C)[C@@]5([H])[C@H](O)C(=O)OC)c1ccoc1 |TLB:28:27:23.14.16:20,15:14:20:27.29,31:29:23.14.16:20,THB:25:23:20:27.29,1:27:23.14.16:20,13:14:20:27.29|

1-O-Deacetyl-2alpha-hydroxykhayanolide E是一种天然产物，属于楝科桃花心木属，其产品编号为 TN2557，CAS号为 1189801-51-1。1-O-Deacetyl-2alpha-hydroxykhayanolide E可用作对照参考。

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