98665-19-1
GANODERIC ACID H
Name
GANODERIC ACID H
Formula
C31 H42 O9
MolWeight
558.664
1Identification
【Name】
GANODERIC ACID H
【CAS】
【MDL】
MFCD04039844
【English Synonyms】
【Formula】
C31 H42 O9
【MolWeight】
558.664
【Inchi】
InChI=1S/C31H42O9/c1-15(12-17(33)8-9-23(37)38)18-13-22(36)31(7)24-19(34)14-20-28(3,4)21(35)10-11-29(20,5)25(24)26(39)27(30(18,31)6)40-16(2)32/h15,18,20-21,27,35H,8-14H2,1-7H3,(H,37,38)/t15-,18-,20+,21+,27-,29+,30+,31+/m1/s1
【InChIKey】
InChIKey=ACJAKHHKLFFGCN-QSCCUOFISA-N
【SMILES】
C[C@H](CC(=O)CCC(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)OC(=O)C)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
GANODERIC ACID H.cml
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