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N,O-Diacetylsolasodine(25R)-N-acetyl-22.alpha.-N-spirosol-5-en-3.beta.-yl-acetate
SpectraBase Compound ID CRuZyon1fXZ
InChI InChI=1S/C31H47NO4/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/h7,18-19,23-28H,8-17H2,1-6H3
InChIKey CUIHFVBXGFUGAP-UHFFFAOYSA-N
Mol Weight 497.7 g/mol
Molecular Formula C31H47NO4
Exact Mass 497.350509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ks3iMfuo94T
Name Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-piperidine], spirosol-5-en-3-ol deriv.
Alternate Name(s) 28-Acetylspirosol-5-en-3-yl acetate N,O-Diacetyl solasodine O,N-Diacetylsolasodine Solasod-5-en-3.beta.-ol, N-acetyl-, acetate Solasodine diacetate Solasodine N,O-diacetate Spirosol-5-en-3-ol, 28-acetyl-, acetate, (3.beta.,22.alpha.,25R)- EINECS 225-462-2
CAS Registry Number 4860-15-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H47NO4
InChI InChI=1S/C31H47NO4/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/h7,18-19,23-28H,8-17H2,1-6H3
InChIKey CUIHFVBXGFUGAP-UHFFFAOYSA-N
Molecular Weight 497.720 g/mol
SMILES CC1C2(OC3C1C1(C)C(C4C(C5(C)C(CC(CC5)OC(C)=O)=CC4)CC1)C3)N(C(C)=O)CC(C)CC2
SPLASH splash10-0a4i-0910200000-d0ff8ece1dce22695e5f
Source of Spectrum B-32-795-0
Wiley ID 1398440