![#2;NUDIFLOSIDE-A;4-[3-HYDROXYCARBONYLMETHYL-2-(2-HYDROXY-1-METHYL-ETHYL)-5-METHYL-CYCLOPENTYLMETHOXYCARBONYLMETHYL]-BIS-[5-ETHYLIDENE-6-(3,4,5-TRIHYDROXY-6-HYD](/api/spectrum/DRo23jBbB81/structure.png?h=300&w=458 "#2;NUDIFLOSIDE-A;4-[3-HYDROXYCARBONYLMETHYL-2-(2-HYDROXY-1-METHYL-ETHYL)-5-METHYL-CYCLOPENTYLMETHOXYCARBONYLMETHYL]-BIS-[5-ETHYLIDENE-6-(3,4,5-TRIHYDROXY-6-HYD")
| SpectraBase Compound ID | BRTNpKp5gYW |
|---|---|
| InChI | InChI=1S/C44H64O23/c1-7-20-22(25(39(56)58-5)16-61-41(20)66-43-37(54)35(52)33(50)28(13-46)64-43)10-30(48)60-15-24-18(3)9-27(32(24)19(4)12-45)63-31(49)11-23-21(8-2)42(62-17-26(23)40(57)59-6)67-44-38(55)36(53)34(51)29(14-47)65-44/h7-8,16-19,22-24,27-29,32-38,41-47,50-55H,9-15H2,1-6H3/b20-7-,21-8+/t18-,19-,22-,23-,24+,27-,28+,29-,32-,33+,34-,35-,36+,37+,38-,41-,42-,43-,44+/m0/s1 |
| InChIKey | VCJYHQPAJJKWLH-VZBDPKRNSA-N |
| Mol Weight | 961.0 g/mol |
| Molecular Formula | C44H64O23 |
| Exact Mass | 960.383838 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DRo23jBbB81 |
|---|---|
| Name | #2;NUDIFLOSIDE-A;4-[3-HYDROXYCARBONYLMETHYL-2-(2-HYDROXY-1-METHYL-ETHYL)-5-METHYL-CYCLOPENTYLMETHOXYCARBONYLMETHYL]-BIS-[5-ETHYLIDENE-6-(3,4,5-TRIHYDROXY-6-HYD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H64O23 |
| InChI | InChI=1S/C44H64O23/c1-7-20-22(25(39(56)58-5)16-61-41(20)66-43-37(54)35(52)33(50)28(13-46)64-43)10-30(48)60-15-24-18(3)9-27(32(24)19(4)12-45)63-31(49)11-23-21(8-2)42(62-17-26(23)40(57)59-6)67-44-38(55)36(53)34(51)29(14-47)65-44/h7-8,16-19,22-24,27-29,32-38,41-47,50-55H,9-15H2,1-6H3/b20-7-,21-8+/t18-,19-,22-,23-,24+,27-,28+,29-,32-,33+,34-,35-,36+,37+,38-,41-,42-,43-,44+/m0/s1 |
| InChIKey | VCJYHQPAJJKWLH-VZBDPKRNSA-N |
| Literature Reference Author | S.HANESSIAN,E.MAINETTI,F.LECOMTE |
| Literature Reference Citation | ORG.LETTERS,8,4047(2006) |
| Literature Reference DOI | 10.1021/ol0615230 |
| Molecular Weight | 960.978 g/mol |
| Sample ID | 59790 |
| Solvent | CD3OD |