![REGULAROSIDE-B;6-ALPHA-O-(BETA-D-FUCOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-(1->4)-[BETA-D-QUINOVOPYRANOSYL-(1->2)]-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-QUINOVOPY](/api/spectrum/K14oRhJzPH1/structure.png?h=300&w=458 "REGULAROSIDE-B;6-ALPHA-O-(BETA-D-FUCOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-(1->4)-[BETA-D-QUINOVOPYRANOSYL-(1->2)]-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-QUINOVOPY")
| SpectraBase Compound ID | 4lU7rZ43ytL |
|---|---|
| InChI | InChI=1S/C56H92O27S.Na/c1-21(2)16-26(57)19-56(9,69)34-11-10-29-28-18-32(31-17-27(83-84(70,71)72)12-14-54(31,7)30(28)13-15-55(29,34)8)78-51-45(68)46(38(61)25(6)76-51)80-52-47(81-49-43(66)40(63)35(58)22(3)74-49)39(62)33(20-73-52)79-53-48(42(65)37(60)24(5)77-53)82-50-44(67)41(64)36(59)23(4)75-50;/h13,21-25,27-29,31-53,58-69H,10-12,14-20H2,1-9H3,(H,70,71,72);/q;+1/p-1/t22-,23-,24+,25+,27-,28?,29?,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?;/m0./s1 |
| InChIKey | FTIUMHVNRBBGRL-FYFWYNRESA-M |
| Mol Weight | 1251.4 g/mol |
| Molecular Formula | C56H91NaO27S |
| Exact Mass | 1250.536613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K14oRhJzPH1 |
|---|---|
| Name | REGULAROSIDE-B;6-ALPHA-O-(BETA-D-FUCOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-(1->4)-[BETA-D-QUINOVOPYRANOSYL-(1->2)]-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-QUINOVOPY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H91NaO27S |
| InChI | InChI=1S/C56H92O27S.Na/c1-21(2)16-26(57)19-56(9,69)34-11-10-29-28-18-32(31-17-27(83-84(70,71)72)12-14-54(31,7)30(28)13-15-55(29,34)8)78-51-45(68)46(38(61)25(6)76-51)80-52-47(81-49-43(66)40(63)35(58)22(3)74-49)39(62)33(20-73-52)79-53-48(42(65)37(60)24(5)77-53)82-50-44(67)41(64)36(59)23(4)75-50;/h13,21-25,27-29,31-53,58-69H,10-12,14-20H2,1-9H3,(H,70,71,72);/q;+1/p-1/t22-,23-,24+,25+,27-,28?,29?,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?;/m0./s1 |
| InChIKey | FTIUMHVNRBBGRL-FYFWYNRESA-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 | 1251.372 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS3540 |