![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/3DHvvUdMIel/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 | Fv9EItbjaF5 |
|---|---|
| InChI | InChI=1S/C74H116O38/c1-10-27(2)59(94)103-36-25-100-61(52(92)46(36)86)108-55-48(88)40(80)28(3)102-64(55)110-57-50(90)45(85)37(26-101-63-54(42(82)33(79)24-99-63)107-60-51(91)41(81)32(78)23-98-60)106-66(57)112-68(97)74-17-15-69(4,5)19-30(74)29-11-12-38-70(6)20-31(77)58(73(9,67(95)96)39(70)13-14-72(38,8)71(29,7)16-18-74)111-65-56(49(89)44(84)35(22-76)105-65)109-62-53(93)47(87)43(83)34(21-75)104-62/h10-11,28,30-58,60-66,75-93H,12-26H2,1-9H3,(H,95,96)/b27-10+/t28-,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+,60+,61+,62+,63+,64-,65+,66+,70-,71-,72-,73+,74+/m1/s1 |
| InChIKey | VHLFOMJIBKEDOU-WDNCDSSSSA-N |
| Mol Weight | 1613.7 g/mol |
| Molecular Formula | C74H116O38 |
| Exact Mass | 1612.714459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3DHvvUdMIel |
|---|---|
| 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 | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H116O38 |
| InChI | InChI=1S/C74H116O38/c1-10-27(2)59(94)103-36-25-100-61(52(92)46(36)86)108-55-48(88)40(80)28(3)102-64(55)110-57-50(90)45(85)37(26-101-63-54(42(82)33(79)24-99-63)107-60-51(91)41(81)32(78)23-98-60)106-66(57)112-68(97)74-17-15-69(4,5)19-30(74)29-11-12-38-70(6)20-31(77)58(73(9,67(95)96)39(70)13-14-72(38,8)71(29,7)16-18-74)111-65-56(49(89)44(84)35(22-76)105-65)109-62-53(93)47(87)43(83)34(21-75)104-62/h10-11,28,30-58,60-66,75-93H,12-26H2,1-9H3,(H,95,96)/b27-10+/t28-,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+,60+,61+,62+,63+,64-,65+,66+,70-,71-,72-,73+,74+/m1/s1 |
| InChIKey | VHLFOMJIBKEDOU-WDNCDSSSSA-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 | 1613.712 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS179 |