Record Information |
---|
Version | 2.0 |
---|
Created at | 2022-12-23 12:08:13 UTC |
---|
Updated at | 2024-09-03 04:15:39 UTC |
---|
NP-MRD ID | NP0331398 |
---|
Natural Product DOI | https://doi.org/10.57994/0347 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Glenthmycin K |
---|
Description | Glenthmycin K was first documented in 2022 (PMID: 35640100). Based on a literature review very few articles have been published on (1S,3R,6R,7E,11E,13R,16S,17S,20S,21R,22S)-17,27-dihydroxy-3,4,6,8,12,14,20,22-octamethyl-26-oxapentacyclo[22.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]Heptacosa-4,7,11,14,24(27)-pentaene-23,25-dione. |
---|
Structure | [H]O[C@H]1CC[C@H](C)[C@]2([H])[C@]1([H])C=C(C)[C@@]1([H])\C(C)=C\CCC(C)=C[C@]3(C)C=C(C)[C@H](C)C[C@]33OC(=O)C(=C3O)C(=O)[C@@]21C InChI=1S/C34H46O5/c1-18-10-9-11-19(2)27-21(4)14-24-25(35)13-12-20(3)28(24)33(27,8)29(36)26-30(37)34(39-31(26)38)17-23(6)22(5)16-32(34,7)15-18/h11,14-16,20,23-25,27-28,35,37H,9-10,12-13,17H2,1-8H3/b18-15+,19-11+/t20-,23+,24+,25-,27+,28+,32+,33+,34+/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C34H46O5 |
---|
Average Mass | 534.7370 Da |
---|
Monoisotopic Mass | 534.33452 Da |
---|
IUPAC Name | Not Available |
---|
Traditional Name | Not Available |
---|
CAS Registry Number | Not Available |
---|
SMILES | [H]O[C@H]1CC[C@H](C)[C@]2([H])[C@]1([H])C=C(C)[C@@]1([H])\C(C)=C\CCC(C)=C[C@]3(C)C=C(C)[C@H](C)C[C@]33OC(=O)C(=C3O)C(=O)[C@@]21C |
---|
InChI Identifier | InChI=1S/C34H46O5/c1-18-10-9-11-19(2)27-21(4)14-24-25(35)13-12-20(3)28(24)33(27,8)29(36)26-30(37)34(39-31(26)38)17-23(6)22(5)16-32(34,7)15-18/h11,14-16,20,23-25,27-28,35,37H,9-10,12-13,17H2,1-8H3/b18-15+,19-11+/t20-,23+,24+,25-,27+,28+,32+,33+,34+/m0/s1 |
---|
InChI Key | GSWPHUYQJATONQ-FMJGVCAWSA-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) | taizong.wu@uq.edu.au | Not Available | Not Available | 2024-05-12 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2024-05-12 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2024-05-12 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2024-05-12 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2024-05-12 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum |
| Predicted Spectra |
---|
|
| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
---|
| Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | Species Name | Source | Reference |
---|
sp. CMB-PB041 | | |
|
---|
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 | |
---|