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O-Acetylsolasodine(25R)-22.alpha.-N-spirosol-5-en-3.beta.-yl-acetate
SpectraBase Compound ID I1LvTxkzrLR
InChI InChI=1S/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3
InChIKey MCQNPWNREVNWDQ-UHFFFAOYSA-N
Mol Weight 455.7 g/mol
Molecular Formula C29H45NO3
Exact Mass 455.339944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XI4sMoDzp8
Name Spirosol-5-en-3-ol, acetate (ester), (3.beta.,22.alpha.,25R)-
CAS Registry Number 6159-99-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H45NO3
InChI InChI=1S/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3
InChIKey MCQNPWNREVNWDQ-UHFFFAOYSA-N
Molecular Weight 455.683 g/mol
SMILES N1CC(CCC11OC2C(C3(C)C(C2)C2C(C4(C)C(CC(CC4)OC(C)=O)=CC2)CC3)C1C)C
SPLASH splash10-03dr-0900100000-38e0b53a130db28e4f32
Source of Spectrum B-32-791-0
Synonyms Spirosol-5-en-3-yl acetate 3-Acetyl-solasodine Acetylsolasodine O-Acetylsolasodine Solasod-5-en-3.beta.-ol, acetate (ester) Solasodine 3-acetate Solasodine acetate Solasodine, 3-O-acetyl- Solasodine, acetate (ester)
Wiley ID 1389082