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Daigremontianin
[CAS# 98205-50-6]

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Identification
Name Daigremontianin
Synonyms Daigremontianin
Molecular Structure CAS#: 98205-50-6, Daigremontianin
Molecular Formula C26H30O9
Molecular Weight 486.52
CAS Registry Number 98205-50-6
SMILES [C@@H]45[C@@]1(C3(OC2(OC1C[C@H](O2)C3)C)CC[C@H]4[C@]6(O)[C@](C(=O)[C@H]5O)([C@H](CC6)C7=COC(=O)C=C7)C)C=O
InChI 1S/C26H30O9/c1-22-15(13-3-4-18(28)32-11-13)6-8-26(22,31)16-5-7-24-10-14-9-17(34-23(2,33-14)35-24)25(24,12-27)19(16)20(29)21(22)30/h3-4,11-12,14-17,19-20,29,31H,5-10H2,1-2H3/t14-,15+,16+,17?,19+,20-,22-,23?,24?,25+,26-/m0/s1
InChIKey PHOLEJIIASOWOL-SQBSQXRJSA-N
Properties
Density 1.498g/cm3 (Cal.)
Boiling point 695.153°C at 760 mmHg (Cal.)
Flash point 237.182°C (Cal.)
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