6040-19-3
葫芦素A
Name
葫芦素A
pro_formula
C32 H46 O9
pro_molWeight
574.706
1Identification
【Name】
葫芦素A
【CAS】
【MDL】
MFCD03700733
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C32 H46 O9
【pro_molWeight】
574.706
【Inchi】
InChI=1S/C32H46O9/c1-17(34)41-27(2,3)12-11-23(37)31(8,40)25-21(36)14-29(6)22-10-9-18-19(13-20(35)26(39)28(18,4)5)32(22,16-33)24(38)15-30(25,29)7/h9,11-12,19-22,25,33,35-36,40H,10,13-16H2,1-8H3/b12-11+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1
【InChIKey】
InChIKey=IHTCCHVMPGDDSL-IVNGUWCNSA-N
【SMILES】
CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)CO)C)C)O)O
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:4
pro_acceptors:9
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
葫芦素A.cml
quick_release
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Cerilliant Corporation
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Alfa Chemistry
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