| SpectraBase Compound ID | 9vWmKB0KCg3 |
|---|---|
| InChI | InChI=1S/C29H38O9/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/h16-17,24,37H,8-13H2,1-7H3,(H,34,35)/t16-,17+,24+,26-,27?,28-,29-/m0/s1 |
| InChIKey | QVBJFSJKFHBAPS-MSXHNPIASA-N |
| Mol Weight | 530.6 g/mol |
| Molecular Formula | C29H38O9 |
| Exact Mass | 530.251583 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | SIp9PArelu |
|---|---|
| Name | 20-Hydroxylucidenic - D2 acid |
| Alternate Name(s) | 4-[(5R,10S,12S,13R,14R,17S)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-hydroxypentanoic acid 4-[(5R,10S,12S,13R,14R,17S)-12-acetoxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-hydroxy-pentanoic acid 4-[(5R,10S,12S,13R,14R,17S)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetrakis(oxidanylidene)-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxidanyl-pentanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H38O9 |
| InChI | InChI=1S/C29H38O9/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/h16-17,24,37H,8-13H2,1-7H3,(H,34,35)/t16-,17+,24+,26-,27?,28-,29-/m0/s1 |
| InChIKey | QVBJFSJKFHBAPS-MSXHNPIASA-N |
| Molecular Weight | 530.614 g/mol |
| SMILES | OC(CCC([C@@]1([C@@]2([C@](C3=C([C@]4(CCC(C([C@@]4(CC3=O)[H])(C)C)=O)C)C([C@]2(OC(=O)C)[H])=O)(C(C1)=O)C)C)[H])(O)C)=O |
| SPLASH | splash10-0g4i-0407930000-14996ffef2a32223083a |
| Source of Spectrum | X2-68-563-3 |
| Wiley ID | 1609485 |