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Macrocalyxin C
[CAS# 91379-75-8]

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CAS#: 91379-75-8
Product: Macrocalyxin C
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Identification
Name Macrocalyxin C
Synonyms (4Beta,7Alpha,12Alpha,14R)-7,12,14-Trihydroxy-15-Oxo-Kaur-16-En-18-Al; Kaur-16-En-18-Al, 7,12,14-Trihydroxy-15-Oxo-, (4Beta,7Alpha,12Alpha,14R)-
Molecular Structure CAS#: 91379-75-8, Macrocalyxin C
Molecular Formula C20H28O5
Molecular Weight 348.44
CAS Registry Number 91379-75-8
SMILES [C@H]23C1([C@@H](O)C(C(C1=O)=C)[C@@H](O)C2)[C@H](O)C[C@H]4[C@]3(CCC[C@@]4(C=O)C)C
InChI 1S/C20H28O5/c1-10-15-11(22)7-13-19(3)6-4-5-18(2,9-21)12(19)8-14(23)20(13,16(10)24)17(15)25/h9,11-15,17,22-23,25H,1,4-8H2,2-3H3/t11-,12+,13-,14+,15?,17-,18+,19+,20?/m0/s1
InChIKey STHPHTFJMBGODJ-NJBUVHOGSA-N
Properties
Density 1.298g/cm3 (Cal.)
Boiling point 555.401°C at 760 mmHg (Cal.)
Flash point 303.754°C (Cal.)
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