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Saponin - aglycone

View entire compound with spectra: 1 MS (GC)

Saponin - aglycone
SpectraBase Compound ID JWNEChGiHYT
InChI InChI=1S/C27H44O5/c1-14-9-23(30)27(31-13-14)15(2)24-22(32-27)12-19-17-11-21(29)20-10-16(28)5-7-25(20,3)18(17)6-8-26(19,24)4/h14-24,28-30H,5-13H2,1-4H3/t14-,15?,16?,17?,18?,19?,20?,21?,22?,23+,24?,25?,26?,27+/m1/s1
InChIKey GDFVLFBHNREYBP-RKWUXJBHSA-N
Mol Weight 448.6 g/mol
Molecular Formula C27H44O5
Exact Mass 448.318875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E2wyb9ADFox
Name Saponin - aglycone
CAS Registry Number 16750-37-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O5
InChI InChI=1S/C27H44O5/c1-14-9-23(30)27(31-13-14)15(2)24-22(32-27)12-19-17-11-21(29)20-10-16(28)5-7-25(20,3)18(17)6-8-26(19,24)4/h14-24,28-30H,5-13H2,1-4H3/t14-,15?,16?,17?,18?,19?,20?,21?,22?,23+,24?,25?,26?,27+/m1/s1
InChIKey GDFVLFBHNREYBP-RKWUXJBHSA-N
Molecular Weight 448.644 g/mol
SMILES OC1CC2C(C3CCC4(C(CC5O[C@]6([C@](C[C@](CO6)(C)[H])(O)[H])C(C45)C)C3CC2O)C)(CC1)C
SPLASH splash10-0h4t-0279000000-9bd3dcccee2b1ff34861
Source of Spectrum X2-48-398-2
Synonyms Spirostan-3,6,23-triol, (3.beta.,5.alpha.,6.alpha.,23S,25S)- Spirostan-3,6,23-triol 5.alpha.-Spirostan-3.beta.,6.alpha.,23-triol, (23S,25S)- Paniculogenin Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-[2H]pyran], spirostan-3,6,23-triol deriv.
Wiley ID 1601707