![#1;REGULAROSIDE-A;6-ALPHA-O-(BETA-D-FUCOPYRANOSYL-(1->2)-BETA-D-QUINOVOPYRANOSYL-(1->4)-[BETA-D-QUINOVOPYRANOSYL-(1->2)]-BETA-D-QUINOVOPYRANOSYL-(1->3)-GLUCOPY](/api/spectrum/LJ8p1OGZcC3/structure.png?h=300&w=458 "#1;REGULAROSIDE-A;6-ALPHA-O-(BETA-D-FUCOPYRANOSYL-(1->2)-BETA-D-QUINOVOPYRANOSYL-(1->4)-[BETA-D-QUINOVOPYRANOSYL-(1->2)]-BETA-D-QUINOVOPYRANOSYL-(1->3)-GLUCOPY")
| SpectraBase Compound ID | Gh46wiaWyvT |
|---|---|
| InChI | InChI=1S/C58H96O28S.Na/c1-20(2)21(3)45-50(81-45)58(10,71)33-12-11-28-27-18-31(30-17-26(86-87(72,73)74)13-15-56(30,8)29(27)14-16-57(28,33)9)79-53-44(70)47(37(63)32(19-59)80-53)83-55-49(85-52-42(68)39(65)35(61)23(5)76-52)43(69)46(25(7)78-55)82-54-48(40(66)36(62)24(6)77-54)84-51-41(67)38(64)34(60)22(4)75-51;/h14,20-28,30-55,59-71H,11-13,15-19H2,1-10H3,(H,72,73,74);/q;+1/p-1/t21-,22+,23+,24+,25-,26+,27?,28?,30?,31+,32-,33+,34-,35+,36+,37-,38-,39-,40-,41+,42+,43+,44-,45-,46-,47+,48+,49-,50-,51-,52-,53?,54-,55+,56-,57+,58?;/m1./s1 |
| InChIKey | CPBJVSRSPDOFCH-IJMWQSNRSA-M |
| Mol Weight | 1295.4 g/mol |
| Molecular Formula | C58H95NaO28S |
| Exact Mass | 1294.562828 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LJ8p1OGZcC3 |
|---|---|
| Name | #1;REGULAROSIDE-A;6-ALPHA-O-(BETA-D-FUCOPYRANOSYL-(1->2)-BETA-D-QUINOVOPYRANOSYL-(1->4)-[BETA-D-QUINOVOPYRANOSYL-(1->2)]-BETA-D-QUINOVOPYRANOSYL-(1->3)-GLUCOPY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H95NaO28S |
| InChI | InChI=1S/C58H96O28S.Na/c1-20(2)21(3)45-50(81-45)58(10,71)33-12-11-28-27-18-31(30-17-26(86-87(72,73)74)13-15-56(30,8)29(27)14-16-57(28,33)9)79-53-44(70)47(37(63)32(19-59)80-53)83-55-49(85-52-42(68)39(65)35(61)23(5)76-52)43(69)46(25(7)78-55)82-54-48(40(66)36(62)24(6)77-54)84-51-41(67)38(64)34(60)22(4)75-51;/h14,20-28,30-55,59-71H,11-13,15-19H2,1-10H3,(H,72,73,74);/q;+1/p-1/t21-,22+,23+,24+,25-,26+,27?,28?,30?,31+,32-,33+,34-,35+,36+,37-,38-,39-,40-,41+,42+,43+,44-,45-,46-,47+,48+,49-,50-,51-,52-,53?,54-,55+,56-,57+,58?;/m1./s1 |
| InChIKey | CPBJVSRSPDOFCH-IJMWQSNRSA-M |
| Literature Reference Author | R.RICCIO,M.IORIZZI,O.S.GRECO,L.MINALE,M.DEBRAY,J.L.MENOU |
| Literature Reference Citation | J.NAT.PROD.,48,756(1985) |
| Literature Reference DOI | 10.1021/np50041a007 |
| Molecular Weight | 1295.425 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS3538 |