![3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL]-28-O-[[ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL-(1->6)]-[4-O-ANGELOYLOXY-ALPHA](/api/spectrum/2zJpaw8STIt/structure.png?h=300&w=458 "3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL]-28-O-[[ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL-(1->6)]-[4-O-ANGELOYLOXY-ALPHA")
| SpectraBase Compound ID | 4rs3ZIJdfc7 |
|---|---|
| InChI | InChI=1S/C74H116O37/c1-10-28(2)59(93)102-36-26-99-61(53(91)47(36)85)108-56-49(87)41(79)29(3)101-64(56)110-58-51(89)46(84)37(27-100-63-55(43(81)33(78)25-98-63)107-60-52(90)42(80)32(77)24-97-60)105-66(58)111-68(96)74-19-17-69(4,5)21-31(74)30-11-12-38-70(6)15-14-40(73(9,67(94)95)39(70)13-16-72(38,8)71(30,7)18-20-74)106-65-57(50(88)45(83)35(23-76)104-65)109-62-54(92)48(86)44(82)34(22-75)103-62/h10-11,29,31-58,60-66,75-92H,12-27H2,1-9H3,(H,94,95)/b28-10-/t29-,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-,60+,61+,62+,63+,64-,65+,66+,70-,71-,72-,73+,74+/m1/s1 |
| InChIKey | NTICTTIQPUNCKQ-QZSLPFNDSA-N |
| Mol Weight | 1597.7 g/mol |
| Molecular Formula | C74H116O37 |
| Exact Mass | 1596.719545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2zJpaw8STIt |
|---|---|
| Name | 3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL]-28-O-[[ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL-(1->6)]-[4-O-ANGELOYLOXY-ALPHA |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H116O37 |
| InChI | InChI=1S/C74H116O37/c1-10-28(2)59(93)102-36-26-99-61(53(91)47(36)85)108-56-49(87)41(79)29(3)101-64(56)110-58-51(89)46(84)37(27-100-63-55(43(81)33(78)25-98-63)107-60-52(90)42(80)32(77)24-97-60)105-66(58)111-68(96)74-19-17-69(4,5)21-31(74)30-11-12-38-70(6)15-14-40(73(9,67(94)95)39(70)13-16-72(38,8)71(30,7)18-20-74)106-65-57(50(88)45(83)35(23-76)104-65)109-62-54(92)48(86)44(82)34(22-75)103-62/h10-11,29,31-58,60-66,75-92H,12-27H2,1-9H3,(H,94,95)/b28-10-/t29-,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-,60+,61+,62+,63+,64-,65+,66+,70-,71-,72-,73+,74+/m1/s1 |
| InChIKey | NTICTTIQPUNCKQ-QZSLPFNDSA-N |
| Literature Reference Author | C.LAVAUD,L.VOUTQUENNE,G.MASSIOT,L.L.MEN-OLIVIER,B.C.DAS,O.LA PREVOTE,L.SERANI,C.D |
| Literature Reference Citation | PHYTOCHEM.,47,441(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00586-4 |
| Molecular Weight | 1597.713 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS178 |