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(R)-5,6-Dihydro-6-[(2S,4S,6S)-2,4,6-trihydrohenicosyl]pyran-2-one (Passifloricin A)
SpectraBase Compound ID 1GPuWi7LxWD
InChI InChI=1S/C26H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-22(27)18-19-23(28)20-24(29)21-25-16-14-17-26(30)31-25/h14,17,22-25,27-29H,2-13,15-16,18-21H2,1H3/t22-,23-,24-,25+/m0/s1
InChIKey RDKSFIAFDUECDH-OJJQZRKESA-N
Mol Weight 440.7 g/mol
Molecular Formula C26H48O5
Exact Mass 440.350175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7gujmRorLbf
Name (R)-5,6-Dihydro-6-[(2S,4S,6S)-2,4,6-trihydrohenicosyl]pyran-2-one (Passifloricin A)
Alternate Name(s) (2R)-2-[(2S,4S,7S)-2,4,7-trihydroxyhenicosyl]-2,3-dihydropyran-6-one (2R)-2-[(2S,4S,7S)-2,4,7-tris(oxidanyl)henicosyl]-2,3-dihydropyran-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H48O5
InChI InChI=1S/C26H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-22(27)18-19-23(28)20-24(29)21-25-16-14-17-26(30)31-25/h14,17,22-25,27-29H,2-13,15-16,18-21H2,1H3/t22-,23-,24-,25+/m0/s1
InChIKey RDKSFIAFDUECDH-OJJQZRKESA-N
Molecular Weight 440.665 g/mol
SMILES O[C@](CC[C@@](C[C@@](C[C@@]1(OC(C=CC1)=O)[H])(O)[H])(O)[H])(CCCCCCCCCCCCCC)[H]
SPLASH splash10-004l-0490000000-e8792061da2df49446c8
Source of Spectrum F-69-7282-18
Wiley ID 1595738