For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Card-20(22)-enolide, 2,3-[[4-(acetyloxy)tetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-, [2.alpha.(2S,3S,4S,6R),3.beta.,5.alpha.]-
SpectraBase Compound ID IHrVfgXinuW
InChI InChI=1S/C31H44O9/c1-16-11-25(38-17(2)32)31(35)27(37-16)39-24-14-28(3)19(13-23(24)40-31)5-6-22-21(28)7-9-29(4)20(8-10-30(22,29)34)18-12-26(33)36-15-18/h12,16,19-25,27,34-35H,5-11,13-15H2,1-4H3/t16?,19-,20+,21-,22+,23-,24-,25?,27?,28-,29+,30?,31?/m0/s1
InChIKey SWNCCOBRAPTBHK-GYRNNQABSA-N
Mol Weight 560.7 g/mol
Molecular Formula C31H44O9
Exact Mass 560.298533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BlZkTtYiyvE
Name Card-20(22)-enolide, 2,3-[[4-(acetyloxy)tetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-, [2.alpha.(2S,3S,4S,6R),3.beta.,5.alpha.]-
CAS Registry Number 89016-26-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H44O9
InChI InChI=1S/C31H44O9/c1-16-11-25(38-17(2)32)31(35)27(37-16)39-24-14-28(3)19(13-23(24)40-31)5-6-22-21(28)7-9-29(4)20(8-10-30(22,29)34)18-12-26(33)36-15-18/h12,16,19-25,27,34-35H,5-11,13-15H2,1-4H3/t16?,19-,20+,21-,22+,23-,24-,25?,27?,28-,29+,30?,31?/m0/s1
InChIKey SWNCCOBRAPTBHK-GYRNNQABSA-N
Molecular Weight 560.684 g/mol
SMILES OC12[C@](CC[C@@]3([C@@]4([C@](C[C@]5([C@@](OC6C(O5)(C(CC(O6)C)OC(=O)C)O)(C4)[H])[H])(CC[C@@]23[H])[H])C)[H])([C@](CC1)(C1=CC(=O)OC1)[H])C
SPLASH splash10-004i-0902000000-97e16f24b39cbf8412fe
Source of Spectrum KC-1983-2834-0
Synonyms (1R,3bR,5aS,6aS,12aS,13aS,13bS,15aR)-3a,7a-dihydroxy-10,13a,15a-trimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)icosahydro-1H,8H-cyclopenta[7,8]phenanthro[2,3-b]pyrano[2,3-e][1,4]dioxin-8-yl acetate 1H,9H-Cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin, card-20(22)-enolide deriv. 3'-Epigomphoside
Wiley ID 1406764