| SpectraBase Compound ID | 3QnpgQmh5na |
|---|---|
| InChI | InChI=1S/C32H48O10/c1-16-26(35)28(38-5)27(36)29(40-16)42-20-8-10-30(3)19(13-20)6-7-22-21(30)9-11-31(4)25(18-12-24(34)39-15-18)23(41-17(2)33)14-32(22,31)37/h12,16,19-23,25-29,35-37H,6-11,13-15H2,1-5H3 |
| InChIKey | UZQOZJNEDXAJEZ-UHFFFAOYSA-N |
| Mol Weight | 592.7 g/mol |
| Molecular Formula | C32H48O10 |
| Exact Mass | 592.324748 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8nYOfXxMiC8 |
|---|---|
| Name | Neritoloside |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H48O10 |
| InChI | InChI=1S/C32H48O10/c1-16-26(35)28(38-5)27(36)29(40-16)42-20-8-10-30(3)19(13-20)6-7-22-21(30)9-11-31(4)25(18-12-24(34)39-15-18)23(41-17(2)33)14-32(22,31)37/h12,16,19-23,25-29,35-37H,6-11,13-15H2,1-5H3 |
| InChIKey | UZQOZJNEDXAJEZ-UHFFFAOYSA-N |
| Molecular Weight | 592.726 g/mol |
| SMILES | OC1C(OC(C(C1OC)O)OC1CC2CCC3C4(C(C(C5=CC(=O)OC5)C(C4)OC(=O)C)(CCC3C2(CC1)C)C)O)C |
| SPLASH | splash10-022j-9802000000-066a0d1f4c49194af3c6 |
| Source of Spectrum | PS-1995-0-30 |
| Synonyms | Acetic acid [3-[(3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester [3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate [3-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate [3-[4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ethanoate |
| Wiley ID | 880046 |