| SpectraBase Compound ID | GQBNFSgFtfa |
|---|---|
| InChI | InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,13,17,19-20,23,31-32,36-37H,10-12,14-15H2,1-8H3/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1 |
| InChIKey | PIGAXYFCLPQWOD-ILFSFOJUSA-N |
| Mol Weight | 516.7 g/mol |
| Molecular Formula | C30H44O7 |
| Exact Mass | 516.308704 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BZ6C1mmArqq |
|---|---|
| Name | Cucurbitacin L |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H44O7 |
| InChI | InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,13,17,19-20,23,31-32,36-37H,10-12,14-15H2,1-8H3/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1 |
| InChIKey | PIGAXYFCLPQWOD-ILFSFOJUSA-N |
| Molecular Weight | 516.675 g/mol |
| SMILES | OC(CCC([C@@]([C@@]1([C@@]2([C@@](C[C@]1(O)[H])([C@]1([C@@](C(C2)=O)([C@@]2(C=C(C(C(C2=CC1)(C)C)=O)O)[H])C)[H])C)C)[H])(O)C)=O)(C)C |
| SPLASH | splash10-01po-0911800000-acfc12d894fed73b0a7b |
| Source of Spectrum | X3-36-294-1 |
| Synonyms | (8S,9R,10R,13R,14S,16R,17R)-17-[(2R)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione (8S,9R,10R,13R,14S,16R,17R)-17-[(1R)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hexyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione (8S,9R,10R,13R,14S,16R,17R)-4,4,9,13,14-pentamethyl-17-[(2R)-6-methyl-2,6-bis(oxidanyl)-3-oxidanylidene-heptan-2-yl]-2,16-bis(oxidanyl)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione |
| Wiley ID | 1691819 |