508-01-0
大豆甾醇 A
Name
大豆甾醇 A
pro_formula
C30 H50 O4
pro_molWeight
474.721
1Identification
【Name】
大豆甾醇 A
【CAS】
【MDL】
MFCD00075987
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C30 H50 O4
【pro_molWeight】
474.721
【Inchi】
InChI=1S/C30H50O4/c1-25(2)16-19-18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-30(21,7)29(18,6)15-14-26(19,3)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20+,21+,22-,23-,24+,26+,27-,28+,29+,30+/m0/s1
【InChIKey】
InChIKey=CDDWAYFUFNQLRZ-KJVHGCRFSA-N
【SMILES】
CC1(C[C@H]2C3=CC[C@@H]4[C@]5(CC[C@@H]([C@]([C@@H]5CC[C@]4([C@@]3(CC[C@]2([C@@H]([C@@H]1O)O)C)C)C)(C)CO)O)C)C
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:4
pro_acceptors:4
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
大豆甾醇 A.cml
quick_release
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Cerilliant Corporation
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