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Aconitane-1,7,8,14-tetrol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, (1.alpha.,6.beta.,14.alpha.,16.beta.)-
SpectraBase Compound ID D2OjdZmiHAP
InChI InChI=1S/C24H39NO7/c1-5-25-10-21(11-30-2)7-6-15(26)23-13-8-12-14(31-3)9-22(28,16(13)17(12)27)24(29,20(23)25)19(32-4)18(21)23/h12-20,26-29H,5-11H2,1-4H3/t12-,13-,14-,15?,16-,17?,18-,19?,20+,21+,22-,23+,24+/m1/s1
InChIKey BMZNJVXOLCBDPZ-OIDAQWNSSA-N
Mol Weight 453.6 g/mol
Molecular Formula C24H39NO7
Exact Mass 453.272653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3scZRCIIfR
Name Aconitane-1,7,8,14-tetrol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, (1.alpha.,6.beta.,14.alpha.,16.beta.)-
CAS Registry Number 545-56-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H39NO7
InChI InChI=1S/C24H39NO7/c1-5-25-10-21(11-30-2)7-6-15(26)23-13-8-12-14(31-3)9-22(28,16(13)17(12)27)24(29,20(23)25)19(32-4)18(21)23/h12-20,26-29H,5-11H2,1-4H3/t12-,13-,14-,15?,16-,17?,18-,19?,20+,21+,22-,23+,24+/m1/s1
InChIKey BMZNJVXOLCBDPZ-OIDAQWNSSA-N
Molecular Weight 453.576 g/mol
SMILES OC1[C@@]2([C@@]3(C[C@]([C@]1(C[C@]2([C@]12[C@@]4(N(C[C@@]([C@]2(C([C@@]34O)OC)[H])(CCC1O)COC)CC)[H])[H])[H])(OC)[H])O)[H]
SPLASH splash10-000i-0000900000-9ca7360409747e7f5f19
Source of Spectrum X4-21-493-0
Synonyms 20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)aconitane-1,7,8,14-tetrol Aconitane-1,7,8,14-tetrol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, (1alpha,6beta,14alpha,16beta)- Aconitane-1,7,8,14-tetrol, 6,16-dimethoxy-20-ethyl-4-(methoxymethyl)-, (1-alpha,6-beta,14-alpha,16-beta)- Delcosin Delcosine Delphamine Iliensine Lucaconine Takao base I Takawo bsae I BRN 1554964
Wiley ID 1585845