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N-Acetylsolasodine(25R)-N-acetyl-22.alpha.-N-spirosol-5-en-3.beta.-ol
SpectraBase Compound ID ARclrJCqOpT
InChI InChI=1S/C29H45NO3/c1-17-8-13-29(30(16-17)19(3)31)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,32H,7-16H2,1-5H3
InChIKey JXAZKNVJWYDQJY-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 6ZmOJVkzCFs
Name Spirosol-5-en-3-ol, 28-acetyl-, (3.beta.,22.alpha.,25R)-
CAS Registry Number 58822-29-0
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)19(3)31)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,32H,7-16H2,1-5H3
InChIKey JXAZKNVJWYDQJY-UHFFFAOYSA-N
Molecular Weight 455.683 g/mol
SMILES OC1CCC2(C3CCC4(C5C(C6(CCC(C)CN6C(=O)C)OC5CC4C3CC=C2C1)C)C)C
SPLASH splash10-0a4l-2920200000-f1b597c534ad74a4a70d
Source of Spectrum B-32-795-0
Synonyms Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-piperidine], spirosol-5-en-3-ol deriv. 28-Acetylspirosol-5-en-3-ol 3,22-Dihydroxysolasodine N-acetate N-Acetylsolasodine Solasodine N-acetate EINECS 261-458-7
Wiley ID 1389084