| SpectraBase Compound ID | 7zkmiiLBVgq |
|---|---|
| InChI | InChI=1S/C27H36O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h15-16,18,28H,1,7-13H2,2-6H3,(H,32,33)/t15-,16+,18+,25+,26-,27+/m1/s1 |
| InChIKey | APMICFQMLNFXRZ-LIFSRMHQSA-N |
| Mol Weight | 456.6 g/mol |
| Molecular Formula | C27H36O6 |
| Exact Mass | 456.251189 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CDDsfO3pVuR |
|---|---|
| Name | 20(21)-dehydrolucidenic - A acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H36O6 |
| InChI | InChI=1S/C27H36O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h15-16,18,28H,1,7-13H2,2-6H3,(H,32,33)/t15-,16+,18+,25+,26-,27+/m1/s1 |
| InChIKey | APMICFQMLNFXRZ-LIFSRMHQSA-N |
| Molecular Weight | 456.579 g/mol |
| SMILES | O[C@]1(C[C@]2(C(C(CC[C@@]2(C2=C1[C@]1([C@@]([C@@](C(CCC(=O)O)=C)(CC1=O)[H])(CC2=O)C)C)C)=O)(C)C)[H])[H] |
| SPLASH | splash10-004i-0001900000-ef125aa103e4d80e3c17 |
| Source of Spectrum | X2-68-563-1 |
| Synonyms | 4-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-4-pentenoic acid 4-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pent-4-enoic acid 4-[(5R,7S,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-7-oxidanyl-3,11,15-tris(oxidanylidene)-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pent-4-enoic acid |
| Wiley ID | 1609487 |