| SpectraBase Compound ID | 9JgWf0Xjti9 |
|---|---|
| InChI | InChI=1S/C29H42O9/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/h15-18,24,31-32,37H,8-13H2,1-7H3,(H,34,35)/t15-,16-,17+,18-,24+,26-,27?,28-,29-/m0/s1 |
| InChIKey | FFMHRFMHJKVBHE-OOLUJHIHSA-N |
| Mol Weight | 534.6 g/mol |
| Molecular Formula | C29H42O9 |
| Exact Mass | 534.282883 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L10qxrcLYN8 |
|---|---|
| Name | 20-Hydroxylucidenic - P acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H42O9 |
| InChI | InChI=1S/C29H42O9/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/h15-18,24,31-32,37H,8-13H2,1-7H3,(H,34,35)/t15-,16-,17+,18-,24+,26-,27?,28-,29-/m0/s1 |
| InChIKey | FFMHRFMHJKVBHE-OOLUJHIHSA-N |
| Molecular Weight | 534.646 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)[H])C)[H] |
| SPLASH | splash10-0a4i-0009100000-c67fe1bfcb8f3fa70075 |
| Source of Spectrum | X2-68-563-7 |
| Synonyms | 4-[(3S,5R,7S,10S,12S,13R,14R,17S)-12-acetyloxy-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-hydroxypentanoic acid 4-[(3S,5R,7S,10S,12S,13R,14R,17S)-12-acetoxy-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-hydroxy-pentanoic acid 4-[(3S,5R,7S,10S,12S,13R,14R,17S)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7-bis(oxidanyl)-11,15-bis(oxidanylidene)-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxidanyl-pentanoic acid |
| Wiley ID | 1609481 |