| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2025-07-21 07:21:58 UTC |
|---|
| Updated at | 2025-09-03 03:35:32 UTC |
|---|
| NP-MRD ID | NP0351334 |
|---|
| Natural Product DOI | https://doi.org/10.57994/4355 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | Sarcglabtene E |
|---|
| Description | Not Available |
|---|
| Structure | [H][C@]12CC3=C4[C@]([H])(C5=C(C)C(=O)O[C@]5(O)C(=O)[C@@]4(C)[C@@H]4C[C@H]34)[C@]1(C)C(=O)C[C@@H](\C=C\C(=C)CC2)C(C)C InChI=1S/C30H36O5/c1-14(2)17-9-7-15(3)8-10-18-12-20-19-13-21(19)29(6)24(20)25(28(18,5)22(31)11-17)23-16(4)26(32)35-30(23,34)27(29)33/h7,9,14,17-19,21,25,34H,3,8,10-13H2,1-2,4-6H3/b9-7+/t17-,18+,19-,21-,25+,28+,29+,30+/m1/s1 |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C30H36O5 |
|---|
| Average Mass | 476.6130 Da |
|---|
| Monoisotopic Mass | 476.25627 Da |
|---|
| IUPAC Name | (1S,2R,5R,6E,11S,14S,16R,17S,19S)-19-hydroxy-2,17,22-trimethyl-8-methylidene-5-(propan-2-yl)-20-oxahexacyclo[11.10.1.0^{2,11}.0^{14,16}.0^{17,24}.0^{19,23}]tetracosa-6,13(24),22-triene-3,18,21-trione |
|---|
| Traditional Name | (1S,2R,5R,6E,11S,14S,16R,17S,19S)-19-hydroxy-5-isopropyl-2,17,22-trimethyl-8-methylidene-20-oxahexacyclo[11.10.1.0^{2,11}.0^{14,16}.0^{17,24}.0^{19,23}]tetracosa-6,13(24),22-triene-3,18,21-trione |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | [H][C@]12CC3=C4[C@]([H])(C5=C(C)C(=O)O[C@]5(O)C(=O)[C@@]4(C)[C@@H]4C[C@H]34)[C@]1(C)C(=O)C[C@@H](\C=C\C(=C)CC2)C(C)C |
|---|
| InChI Identifier | InChI=1S/C30H36O5/c1-14(2)17-9-7-15(3)8-10-18-12-20-19-13-21(19)29(6)24(20)25(28(18,5)22(31)11-17)23-16(4)26(32)35-30(23,34)27(29)33/h7,9,14,17-19,21,25,34H,3,8,10-13H2,1-2,4-6H3/b9-7+/t17-,18+,19-,21-,25+,28+,29+,30+/m1/s1 |
|---|
| InChI Key | USZAGGLMRNBAFF-VFANWSSCSA-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) | zhangdanyang97@163.com | 中国药科大学 | Danyang Zhang | 2025-07-21 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | zhangdanyang97@163.com | 中国药科大学 | Danyang Zhang | 2025-07-21 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | zhangdanyang97@163.com | 中国药科大学 | Danyang Zhang | 2025-07-21 | View Spectrum | | 1D_DEPT NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | zhangdanyang97@163.com | 中国药科大学 | Danyang Zhang | 2025-07-21 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | zhangdanyang97@163.com | 中国药科大学 | Danyang Zhang | 2025-07-21 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | zhangdanyang97@163.com | 中国药科大学 | Danyang Zhang | 2025-07-21 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | zhangdanyang97@163.com | 中国药科大学 | Danyang Zhang | 2025-07-21 | 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 |
|---|
| Sarcandra Sarcandra glabra | | |
|
|---|
| 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 | |
|---|