76918-93-9
BEIWUTINE
Name
BEIWUTINE
pro_formula
C33 H45 N O12
pro_molWeight
647.714
1Identification
【Name】
BEIWUTINE
【CAS】
【MDL】
MFCD01743990
【EnglishSynonyms】
【pro_formula】
C33 H45 N O12
【pro_molWeight】
647.714
【Inchi】
InChI=1S/C33H45NO12/c1-16(35)46-33-20-21(43-5)22-29(15-41-3)14-34(2)24(20)32(22,19(42-4)12-18(29)36)31(40)13-30(39,27(44-6)25(33)37)26(23(31)33)45-28(38)17-10-8-7-9-11-17/h7-11,18-27,36-37,39-40H,12-15H2,1-6H3/t18-,19+,20-,21+,22?,23+,24?,25+,26-,27+,29+,30-,31+,32-,33+/m1/s1
【InChIKey】
InChIKey=GPTAWZLFSGYZGC-UVNIHGBLSA-N
【SMILES】
CC(=O)O[C@@]12[C@@H]3[C@@H](C4[C@@]5(CN(C3[C@]4([C@H](C[C@H]5O)OC)[C@]6([C@@H]1[C@H]([C@](C6)([C@H]([C@@H]2O)OC)O)OC(=O)c7ccccc7)O)C)COC)OC
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:4
pro_acceptors:13
XLogP3:-1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
BEIWUTINE.cml
quick_release
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