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Aconitane-6,10,14-triol,20-ethyl-1,16-dimethoxy-4-methyl-7,8-[methylenebis(oxy)]-, 6,14-diacetate, (1a,6b,14a,16b)- (75659-26-6)

Identification
Name:Aconitane-6,10,14-triol,20-ethyl-1,16-dimethoxy-4-methyl-7,8-[methylenebis(oxy)]-, 6,14-diacetate, (1a,6b,14a,16b)-
Synonyms:14-Acetyldictyocarpine;14-O-Acetyldictyocarpine; Dictyocarpine 14-acetate; Dictyocarpinine6,14-diacetate
CAS:75659-26-6
Molecular Formula: C28H41 N O9
Molecular Weight: 535.70
InChI: InChI=1/C28H41NO9/c1-7-29-12-24(4)9-8-18(34-6)27-21(24)22(38-15(3)31)28(23(27)29)26(35-13-36-28)11-17(33-5)16-10-25(27,32)20(26)19(16)37-14(2)30/h16-23,32H,7-13H2,1-6H3
Molecular Structure: (C28H41NO9) 14-Acetyldictyocarpine;14-O-Acetyldictyocarpine; Dictyocarpine 14-acetate; Dictyocarpinine6,14-diace...
Properties
Flash Point: 325.5°C
Boiling Point: 614.7°C at 760 mmHg
Density:1.35g/cm3
Refractive index:1.589
Specification:

Descriptors Computed from Structure about 14-Acetyldictyocarpine(CAS NO.75659-26-6) is:
Canonical SMILES: CCN1CC2(CCC(C34C2C(C5(C31)C6(CC(C7CC4(C6C7OC(=O)C)O)OC)OCO5)OC(=O)C)OC)C
InChI: InChI=1S/C28H41NO9/c1-7-29-12-24(4)9-8-18(34-6)27-21(24)22(38-15(3)31)28(23(27)29)26(35-13-36-28)11-17(33-5)16-10-25(27,32)20(26)19(16)37-14(2)30/h16-23,32H,7-13H2,1-6H3
InChIKey: YRFHHBLWWCMRSY-UHFFFAOYSA-N

Flash Point: 325.5°C
Safety Data
 

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