Record Information |
---|
Version | 1.0 |
---|
Created at | 2023-09-26 21:34:23 UTC |
---|
Updated at | 2024-04-19 09:53:55 UTC |
---|
NP-MRD ID | NP0331866 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Meliazedarine L |
---|
Description | Not Available |
---|
Structure | [H][C@@]12[C@@H](OC(C)=O)[C@@H](OC(=O)C(\C)=C\C)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](CC=C34)C3=COC=C3)[C@@]1(C)[C@@H](O)C[C@@H](O)[C@@]2(C)CO InChI=1S/C33H46O8/c1-8-18(2)29(38)41-28-26(40-19(3)35)27-31(5,17-34)24(36)15-25(37)33(27,7)23-11-13-30(4)21(20-12-14-39-16-20)9-10-22(30)32(23,28)6/h8,10,12,14,16,21,23-28,34,36-37H,9,11,13,15,17H2,1-7H3/b18-8+/t21-,23-,24+,25-,26+,27-,28+,30-,31+,32-,33-/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C33H46O8 |
---|
Average Mass | 570.7230 Da |
---|
Monoisotopic Mass | 570.31927 Da |
---|
IUPAC Name | (1R,3bR,4S,5R,5aR,6R,7R,9S,9aR,9bR,11aS)-5-(acetyloxy)-1-(furan-3-yl)-7,9-dihydroxy-6-(hydroxymethyl)-3b,6,9a,11a-tetramethyl-1H,2H,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl (2E)-2-methylbut-2-enoate |
---|
Traditional Name | (1R,3bR,4S,5R,5aR,6R,7R,9S,9aR,9bR,11aS)-5-(acetyloxy)-1-(furan-3-yl)-7,9-dihydroxy-6-(hydroxymethyl)-3b,6,9a,11a-tetramethyl-1H,2H,4H,5H,5aH,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-4-yl (2E)-2-methylbut-2-enoate |
---|
CAS Registry Number | Not Available |
---|
SMILES | [H][C@@]12[C@@H](OC(C)=O)[C@@H](OC(=O)C(\C)=C\C)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](CC=C34)C3=COC=C3)[C@@]1(C)[C@@H](O)C[C@@H](O)[C@@]2(C)CO |
---|
InChI Identifier | InChI=1S/C33H46O8/c1-8-18(2)29(38)41-28-26(40-19(3)35)27-31(5,17-34)24(36)15-25(37)33(27,7)23-11-13-30(4)21(20-12-14-39-16-20)9-10-22(30)32(23,28)6/h8,10,12,14,16,21,23-28,34,36-37H,9,11,13,15,17H2,1-7H3/b18-8+/t21-,23-,24+,25-,26+,27-,28+,30-,31+,32-,33-/m0/s1 |
---|
InChI Key | LAGHEWGXPBMIKB-QPYFLGLXSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | 15521328343@163.com | Not Available | Not Available | 2023-09-26 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | 15521328343@163.com | Not Available | Not Available | 2023-09-26 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | 15521328343@163.com | Not Available | Not Available | 2023-09-26 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | 15521328343@163.com | Not Available | Not Available | 2023-09-26 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental) | 15521328343@163.com | Not Available | Not Available | 2023-09-26 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental) | 15521328343@163.com | Not Available | Not Available | 2023-09-26 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | 15521328343@163.com | Not Available | Not Available | 2023-09-26 | View Spectrum |
| Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | Not Available |
---|
Chemical Taxonomy |
---|
Classification | Not classified |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | |
---|