![NEROLIDOL-3-O-(ALPHA-L-RHAMNOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-(4-TRANS-FERULOYL)-RHAMNOPYRANOSYL-(1->6)])-BETA-D-GLUCOPYRANOSIDE;CMP-#5](/api/spectrum/I7OuD1EiyCy/structure.png?h=300&w=458 "NEROLIDOL-3-O-(ALPHA-L-RHAMNOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-(4-TRANS-FERULOYL)-RHAMNOPYRANOSYL-(1->6)])-BETA-D-GLUCOPYRANOSIDE;CMP-#5")
| SpectraBase Compound ID | DsoJI54wbRO |
|---|---|
| InChI | InChI=1S/C49H74O21/c1-10-49(8,20-12-15-24(4)14-11-13-23(2)3)70-48-44(69-47-41(60)38(57)43(27(7)65-47)68-46-39(58)35(54)33(52)25(5)63-46)36(55)34(53)31(66-48)22-62-45-40(59)37(56)42(26(6)64-45)67-32(51)19-17-28-16-18-29(50)30(21-28)61-9/h10,13,15-19,21,25-27,31,33-48,50,52-60H,1,11-12,14,20,22H2,2-9H3/b19-17+,24-15-/t25-,26-,27+,31-,33-,34-,35+,36+,37-,38+,39-,40-,41+,42-,43+,44-,45-,46+,47-,48+,49?/m1/s1 |
| InChIKey | MMELJFGHYBXHPP-LFYNHHBZSA-N |
| Mol Weight | 999.1 g/mol |
| Molecular Formula | C49H74O21 |
| Exact Mass | 998.472259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I7OuD1EiyCy |
|---|---|
| Name | NEROLIDOL-3-O-(ALPHA-L-RHAMNOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-(4-TRANS-FERULOYL)-RHAMNOPYRANOSYL-(1->6)])-BETA-D-GLUCOPYRANOSIDE;CMP-#5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H74O21 |
| InChI | InChI=1S/C49H74O21/c1-10-49(8,20-12-15-24(4)14-11-13-23(2)3)70-48-44(69-47-41(60)38(57)43(27(7)65-47)68-46-39(58)35(54)33(52)25(5)63-46)36(55)34(53)31(66-48)22-62-45-40(59)37(56)42(26(6)64-45)67-32(51)19-17-28-16-18-29(50)30(21-28)61-9/h10,13,15-19,21,25-27,31,33-48,50,52-60H,1,11-12,14,20,22H2,2-9H3/b19-17+,24-15-/t25-,26-,27+,31-,33-,34-,35+,36+,37-,38+,39-,40-,41+,42-,43+,44-,45-,46+,47-,48+,49?/m1/s1 |
| InChIKey | MMELJFGHYBXHPP-LFYNHHBZSA-N |
| Literature Reference Author | N.DETOMMASI,R.AQUINO,F.DESIMONE,C.PIZZA |
| Literature Reference Citation | J.NAT.PROD.,55,1025(1992) |
| Literature Reference DOI | 10.1021/np50086a001 |
| Molecular Weight | 999.114 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS5315 |