| SpectraBase Compound ID | 9OVSL514SN6 |
|---|---|
| InChI | InChI=1S/C46H56O22/c1-20-37(61-22(3)48)41(63-24(5)50)43(65-26(7)52)45(59-20)58-19-36-40(62-23(4)49)42(64-25(6)51)44(66-27(8)53)46(68-36)67-33-14-12-29(16-35(33)55-10)39-31-18-56-38(30(31)17-57-39)28-11-13-32(60-21(2)47)34(15-28)54-9/h11-16,20,30-31,36-46H,17-19H2,1-10H3 |
| InChIKey | OFGWLNQGRQMHJG-UHFFFAOYSA-N |
| Mol Weight | 960.9 g/mol |
| Molecular Formula | C46H56O22 |
| Exact Mass | 960.326323 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6uVUp4p5qAI |
|---|---|
| Name | Heptaacetyl-versicoside |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C46H56O22 |
| InChI | InChI=1S/C46H56O22/c1-20-37(61-22(3)48)41(63-24(5)50)43(65-26(7)52)45(59-20)58-19-36-40(62-23(4)49)42(64-25(6)51)44(66-27(8)53)46(68-36)67-33-14-12-29(16-35(33)55-10)39-31-18-56-38(30(31)17-57-39)28-11-13-32(60-21(2)47)34(15-28)54-9/h11-16,20,30-31,36-46H,17-19H2,1-10H3 |
| InChIKey | OFGWLNQGRQMHJG-UHFFFAOYSA-N |
| Molecular Weight | 960.932 g/mol |
| SMILES | C1(C(C(OC(=O)C)C(OC1Oc1c(cc(C2C3C(C(c4cc(OC)c(cc4)OC(=O)C)OC3)CO2)cc1)OC)COC1C(C(OC(=O)C)C(C(O1)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| SPLASH | splash10-0fk9-0960000000-c3f651a79ba8f72a1606 |
| Source of Spectrum | X4-21-587-0 |
| Synonyms | epi-Pinoresinol-4'-O-[O-.alpha.-L-Rhamnopyranosyl-(1->6)-.beta.-D-Glucopyranoside]- Peracetylated Acetic acid [4,5-diacetyloxy-2-methyl-6-[[3,4,5-triacetyloxy-6-[4-[6-(4-acetyloxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-2-oxanyl]methoxy]-3-oxanyl] ester [4,5-diacetyloxy-2-methyl-6-[[3,4,5-triacetyloxy-6-[4-[6-(4-acetyloxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]oxan-2-yl]methoxy]oxan-3-yl] acetate [4,5-diacetoxy-2-methyl-6-[[3,4,5-triacetoxy-6-[4-[6-(4-acetoxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenoxy]tetrahydropyran-2-yl]methoxy]tetrahydropyran-3-yl] acetate [4,5-diacetyloxy-2-methyl-6-[[3,4,5-triacetyloxy-6-[4-[6-(4-acetyloxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenoxy]oxan-2-yl]methoxy]oxan-3-yl] ethanoate |
| Wiley ID | 1585884 |