80489-65-2
RUBIFOLIC ACID
Name
RUBIFOLIC ACID
pro_formula
C30 H48 O4
pro_molWeight
472.705
1Identification
【Name】
RUBIFOLIC ACID
【CAS】
【MDL】
MFCD17214916
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C30 H48 O4
【pro_molWeight】
472.705
【Inchi】
InChI=1S/C30H48O4/c1-18-19(17-31)9-14-30(25(33)34)16-15-28(5)20(24(18)30)7-8-22-27(4)12-11-23(32)26(2,3)21(27)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19-,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1
【InChIKey】
InChIKey=UBLKZBSRTSLNTC-RRHGHHQTSA-N
【SMILES】
C[C@H]1[C@@H](CC[C@]2([C@@H]1C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O)CO
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:4
XLogP3:8.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
RUBIFOLIC ACID.cml
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