91269-84-0
MELILOTIGENIN B
Name
MELILOTIGENIN B
Formula
C30 H46 O3
MolWeight
454.69
1Identification
【Name】
MELILOTIGENIN B
【CAS】
【MDL】
MFCD20274993
【English Synonyms】
【Formula】
C30 H46 O3
【MolWeight】
454.69
【Inchi】
InChI=1S/C30H46O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-22,31H,9-18H2,1-7H3/t20-,21+,22+,26+,27-,28+,29+,30+/m0/s1
【InChIKey】
InChIKey=AKFPPARWAOGYCP-QMTZRBPCSA-N
【SMILES】
CC1(C[C@H]2C3=CC[C@@H]4[C@]5(CCC(=O)[C@]([C@@H]5CC[C@]4([C@@]3(CC[C@]2(C(=O)C1)C)C)C)(C)CO)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
MELILOTIGENIN B.cml
Quick Release
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