Deltatsine | 德尔塔生 | CAS 92631-66-8

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HIT ID:HIT214317160
Cas No:92631-66-8
常用名:Deltatsine
别名:德尔塔生
IUPAC:(2R,3R,4S,5S,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-6,8,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecane-4,9,16-triol
IUPAC:(2R,3R,4S,5S,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-6,8,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecane-4,9,16-triol
InChI key:ZUMVRGDGUZROMJ-UXZYDIFGSA-N

分子式:C25H41NO7
分子量:467.603
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@@](C[C@@H]2OC)(OC)[C@@]1(O)[C@@H](OC)[C@@]2([H])C33[C@@H](O)CC[C@@]2(COC)CN(CC)[C@]13[H] |TLB:34:33:23:18.16,9:16:23:33.32.28,3:23:18.16:33.32.28,8:7:3.2:9.11.10,THB:24:23:18.16:33.32.28,18:21:36.33.32:24.27.26,19:18:23:33.32.28,17:16:23:33.32.28,33:36:21.18:9.5.3,29:28:23:18.16,27:28:23:18.16|
SMILES:[H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@@](C[C@@H]2OC)(OC)[C@@]1(O)[C@@H](OC)[C@@]2([H])C33[C@@H](O)CC[C@@]2(COC)CN(CC)[C@]13[H] |TLB:34:33:23:18.16,9:16:23:33.32.28,3:23:18.16:33.32.28,8:7:3.2:9.11.10,THB:24:23:18.16:33.32.28,18:21:36.33.32:24.27.26,19:18:23:33.32.28,17:16:23:33.32.28,33:36:21.18:9.5.3,29:28:23:18.16,27:28:23:18.16|

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