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14-Dehydrobrowniine
[CAS# 4829-56-5]

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CAS#: 4829-56-5
Product: 14-Dehydrobrowniine
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Identification
Name 14-Dehydrobrowniine
Synonyms Aconitan-14-One, 20-Ethyl-7,8-Dihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)-, (1Alpha,6Beta,16Beta)-; Aconitan-14-One, 7,8-Dihydroxy-20-Ethyl-4-(Methoxymethyl)-1,6,16-Trimethoxy-, (1-Alpha,6-Beta,16-Beta)-; Dehydrobrowniine
Molecular Structure CAS#: 4829-56-5, 14-Dehydrobrowniine
Molecular Formula C25H39NO7
Molecular Weight 465.59
CAS Registry Number 4829-56-5
SMILES C(C56C3C(C4(C1(C2C(CC(C(C1)OC)C2=O)C3(C4N(C5)CC)C(CC6)OC)O)O)OC)OC
InChI 1S/C25H39NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-17,19-21,28-29H,6-12H2,1-5H3
InChIKey MWOQLGAENOKSHS-UHFFFAOYSA-N
Properties
Density 1.314g/cm3 (Cal.)
Boiling point 574.733°C at 760 mmHg (Cal.)
Flash point 301.388°C (Cal.)
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List of Reports Available for 14-Dehydrobrowniine
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