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Bruceanic Acid A
[CAS# 53663-07-3]

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CAS#: 53663-07-3
Product: Bruceanic Acid A
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Identification
Name Bruceanic Acid A
Synonyms Bruceantin Decomp. (B611103f122); Nsc238183
Molecular Structure CAS#: 53663-07-3, Bruceanic Acid A
Molecular Formula C27H36O12
Molecular Weight 552.57
CAS Registry Number 53663-07-3
SMILES C(C4(C2C13C(C(OC1)(C(O)C2O)C(OC)=O)C(OC(=O)\C=C(C(C)C)/C)C(OC3CC4C(=O)C)=O)C)C(O)=O
InChI 1S/C27H36O12/c1-11(2)12(3)7-17(31)39-19-21-26-10-37-27(21,24(35)36-6)22(33)18(32)20(26)25(5,9-16(29)30)14(13(4)28)8-15(26)38-23(19)34/h7,11,14-15,18-22,32-33H,8-10H2,1-6H3,(H,29,30)/b12-7+
InChIKey LJQBOQTZZVQGBW-KPKJPENVSA-N
Properties
Density 1.4g/cm3 (Cal.)
Boiling point 735.351°C at 760 mmHg (Cal.)
Flash point 240.491°C (Cal.)
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List of Reports Available for Bruceanic Acid A
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