| SpectraBase Compound ID | e3Ro3k0FLV |
|---|---|
| InChI | InChI=1S/C29H40O9/c1-14(30)38-24-23(36)22-21(15(31)12-16-25(2,3)18(32)8-10-26(16,22)4)29(7)19(33)13-17(28(24,29)6)27(5,37)11-9-20(34)35/h16-18,24,32,37H,8-13H2,1-7H3,(H,34,35)/t16-,17+,18-,24+,26-,27?,28-,29-/m0/s1 |
| InChIKey | JZZMIFMLEGZFJO-TYVNISONSA-N |
| Mol Weight | 532.6 g/mol |
| Molecular Formula | C29H40O9 |
| Exact Mass | 532.267233 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Hq1zUt4cfnG |
|---|---|
| Name | 20-Hydroxylucidenic - e2 acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H40O9 |
| InChI | InChI=1S/C29H40O9/c1-14(30)38-24-23(36)22-21(15(31)12-16-25(2,3)18(32)8-10-26(16,22)4)29(7)19(33)13-17(28(24,29)6)27(5,37)11-9-20(34)35/h16-18,24,32,37H,8-13H2,1-7H3,(H,34,35)/t16-,17+,18-,24+,26-,27?,28-,29-/m0/s1 |
| InChIKey | JZZMIFMLEGZFJO-TYVNISONSA-N |
| Molecular Weight | 532.630 g/mol |
| SMILES | O[C@]1(CC[C@@]2(C3=C([C@]4([C@@]([C@@](C(CCC(=O)O)(O)C)(CC4=O)[H])([C@@](C3=O)(OC(=O)C)[H])C)C)C(C[C@]2(C1(C)C)[H])=O)C)[H] |
| SPLASH | splash10-0udi-0209200000-bc5035df679ac0c06c12 |
| Source of Spectrum | X2-68-563-5 |
| Synonyms | 4-[(3S,5R,10S,12S,13R,14R,17S)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-4-hydroxypentanoic acid 4-[(3S,5R,10S,12S,13R,14R,17S)-12-acetoxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-4-hydroxy-pentanoic acid 4-[(3S,5R,10S,12S,13R,14R,17S)-12-acetyloxy-4,4,10,13,14-pentamethyl-3-oxidanyl-7,11,15-tris(oxidanylidene)-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-4-oxidanyl-pentanoic acid |
| Wiley ID | 1609483 |