142950-86-5
TRIPTOQUINONE A
Name
TRIPTOQUINONE A
Formula
C20 H24 O4
MolWeight
328.406
1Identification
【Name】
TRIPTOQUINONE A
【CAS】
【MDL】
MFCD11975468
【English Synonyms】
【Formula】
C20 H24 O4
【MolWeight】
328.406
【Inchi】
InChI=1S/C20H24O4/c1-10(2)14-9-16(21)17-13(18(14)22)5-6-15-11(3)12(19(23)24)7-8-20(15,17)4/h9-10,15H,5-8H2,1-4H3,(H,23,24)/t15-,20-/m0/s1
【InChIKey】
InChIKey=PDPFWAJAYGLYHD-YWZLYKJASA-N
【SMILES】
CC1=C(CC[C@]2([C@H]1CCC3=C2C(=O)C=C(C3=O)C(C)C)C)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TRIPTOQUINONE A.cml
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