![#1;LESCHENAULTIA-BLUE-ANTHOCYANIN;DELPHINIDIN-3-O-[6-O-MALONYL-BETA-D-GLUCOPYRANOSIDE]-7-O-[6-O-(4-O-(6-O-(4-O-BETA-D-GLUCOPYRANOSYL-TRANS-CAFFEOYL)-BETA-D-GLU](/api/spectrum/51xlHt3cTxK/structure.png?h=300&w=458 "#1;LESCHENAULTIA-BLUE-ANTHOCYANIN;DELPHINIDIN-3-O-[6-O-MALONYL-BETA-D-GLUCOPYRANOSIDE]-7-O-[6-O-(4-O-(6-O-(4-O-BETA-D-GLUCOPYRANOSYL-TRANS-CAFFEOYL)-BETA-D-GLU")
| SpectraBase Compound ID | GVL8Kyzp7n2 |
|---|---|
| InChI | InChI=1S/C60H64O36/c61-17-35-44(73)48(77)53(82)58(93-35)90-31-5-1-21(9-27(31)63)4-8-41(70)86-19-37-46(75)50(79)54(83)59(95-37)91-32-6-2-22(10-28(32)64)3-7-40(69)85-18-36-45(74)49(78)52(81)57(94-36)88-24-13-26(62)25-15-34(56(89-33(25)14-24)23-11-29(65)43(72)30(66)12-23)92-60-55(84)51(80)47(76)38(96-60)20-87-42(71)16-39(67)68/h1-15,35-38,44-55,57-61,73-84H,16-20H2,(H6-,62,63,64,65,66,67,68,72)/p+1/b7-3+,8-4+/t35-,36-,37+,38+,44-,45-,46+,47+,48+,49+,50-,51-,52-,53-,54+,55+,57-,58-,59+,60+/m1/s1 |
| InChIKey | SOZRHWHFXBRBBE-UEQMBTRGSA-O |
| Mol Weight | 1362.1 g/mol |
| Molecular Formula | C60H65O36 |
| Exact Mass | 1361.325553 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 51xlHt3cTxK |
|---|---|
| Name | #1;LESCHENAULTIA-BLUE-ANTHOCYANIN;DELPHINIDIN-3-O-[6-O-MALONYL-BETA-D-GLUCOPYRANOSIDE]-7-O-[6-O-(4-O-(6-O-(4-O-BETA-D-GLUCOPYRANOSYL-TRANS-CAFFEOYL)-BETA-D-GLU |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H65O36 |
| InChI | InChI=1S/C60H64O36/c61-17-35-44(73)48(77)53(82)58(93-35)90-31-5-1-21(9-27(31)63)4-8-41(70)86-19-37-46(75)50(79)54(83)59(95-37)91-32-6-2-22(10-28(32)64)3-7-40(69)85-18-36-45(74)49(78)52(81)57(94-36)88-24-13-26(62)25-15-34(56(89-33(25)14-24)23-11-29(65)43(72)30(66)12-23)92-60-55(84)51(80)47(76)38(96-60)20-87-42(71)16-39(67)68/h1-15,35-38,44-55,57-61,73-84H,16-20H2,(H6-,62,63,64,65,66,67,68,72)/p+1/b7-3+,8-4+/t35-,36-,37+,38+,44-,45-,46+,47+,48+,49+,50-,51-,52-,53-,54+,55+,57-,58-,59+,60+/m1/s1 |
| InChIKey | SOZRHWHFXBRBBE-UEQMBTRGSA-O |
| Literature Reference Author | N.SAITO,F.TATSUZAWA,Y.YAZAKI,A.SHIGIHARA,T.HONDA |
| Literature Reference Citation | PHYTOCHEM.,68,673(2007) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.11.012 |
| Molecular Weight | 1362.154 g/mol |
| Sample ID | 42636 |
| Solvent | CD3OD:CF3CO2D=9:1 |