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N,O-Diacetyltomatidine
SpectraBase Compound ID KbhozTraZVi
InChI InChI=1S/C31H49NO4/c1-18-9-14-31(32(17-18)20(3)33)19(2)28-27(36-31)16-26-24-8-7-22-15-23(35-21(4)34)10-12-29(22,5)25(24)11-13-30(26,28)6/h18-19,22-28H,7-17H2,1-6H3
InChIKey XBYGONLLFUVZNC-UHFFFAOYSA-N
Mol Weight 499.7 g/mol
Molecular Formula C31H49NO4
Exact Mass 499.366159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nQgCrvN4Zd
Name Spirosolan-3-ol, 28-acetyl-, acetate (ester), (3.beta.,5.alpha.,22.beta.,25S)-
Alternate Name(s) 28-Acetylspirosolan-3-yl acetate 16(O),22-Dihydrosolasodine diacetate 5,6-Dihydrosolasodine diacetate 5.alpha.-Tomatidan-3.beta.-ol, N-acetyl-, acetate (ester) Dihydrosolasodine diacetate N,O-Diacetyltomatidine O,N-Diacetyl-tomatidine Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-piperidine], spirosolan-3-ol deriv. Tomatidine diacetate
CAS Registry Number 1181-86-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H49NO4
InChI InChI=1S/C31H49NO4/c1-18-9-14-31(32(17-18)20(3)33)19(2)28-27(36-31)16-26-24-8-7-22-15-23(35-21(4)34)10-12-29(22,5)25(24)11-13-30(26,28)6/h18-19,22-28H,7-17H2,1-6H3
InChIKey XBYGONLLFUVZNC-UHFFFAOYSA-N
Molecular Weight 499.736 g/mol
SMILES CC1CCC2(C(C3C(O2)CC2C3(CCC3C2CCC2C3(CCC(C2)OC(=O)C)C)C)C)N(C1)C(=O)C
SPLASH splash10-08fu-6931200000-4b4e7c6e9cc6f8613269
Source of Spectrum EP-8156-0-0
Wiley ID 1398740