Record Information |
---|
Version | 1.0 |
---|
Created at | 2024-05-04 02:31:53 UTC |
---|
Updated at | 2024-05-06 00:10:48 UTC |
---|
NP-MRD ID | NP0333044 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Diphybiflavonoid B |
---|
Description | Not Available |
---|
Structure | OC1=CC=C(C=C1)[C@]12OC3=CC(O)=CC(O)=C3C(=O)[C@@]1(O)OC1=C(O2)C=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O InChI=1S/C30H18O13/c31-14-4-2-13(3-5-14)30-29(39,28(38)24-18(35)9-16(33)11-22(24)43-30)41-19-6-1-12(7-20(19)42-30)27-26(37)25(36)23-17(34)8-15(32)10-21(23)40-27/h1-11,31-35,37,39H/t29-,30+/m1/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C30H18O13 |
---|
Average Mass | 586.4610 Da |
---|
Monoisotopic Mass | 586.07474 Da |
---|
IUPAC Name | (5aR,11aR)-1,3,11a-trihydroxy-5a-(4-hydroxyphenyl)-8-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)-11a,12-dihydro-5aH-5,6,11-trioxatetracen-12-one |
---|
Traditional Name | (5aR,11aR)-1,3,11a-trihydroxy-5a-(4-hydroxyphenyl)-8-(3,5,7-trihydroxy-4-oxochromen-2-yl)-5,6,11-trioxatetracen-12-one |
---|
CAS Registry Number | Not Available |
---|
SMILES | OC1=CC=C(C=C1)[C@]12OC3=CC(O)=CC(O)=C3C(=O)[C@@]1(O)OC1=C(O2)C=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O |
---|
InChI Identifier | InChI=1S/C30H18O13/c31-14-4-2-13(3-5-14)30-29(39,28(38)24-18(35)9-16(33)11-22(24)43-30)41-19-6-1-12(7-20(19)42-30)27-26(37)25(36)23-17(34)8-15(32)10-21(23)40-27/h1-11,31-35,37,39H/t29-,30+/m1/s1 |
---|
InChI Key | JSOVYIRXAFFUEV-IHLOFXLRSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | sunyanjunily@126.com | Henan University of Chinese Medicine | Yan-jun Sun | 2024-05-04 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | sunyanjunily@126.com | Henan University of Chinese Medicine | Yan-jun Sun | 2024-05-04 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental) | sunyanjunily@126.com | Henan University of Chinese Medicine | Yan-jun Sun | 2024-05-04 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | sunyanjunily@126.com | Henan University of Chinese Medicine | Yan-jun Sun | 2024-05-04 | View Spectrum |
| Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | |
---|
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 | |
---|