| SpectraBase Compound ID | KjhvhgKGJRr |
|---|---|
| InChI | InChI=1S/C29H42O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-22,30H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19?,20?,21?,22-,28?,29?/m1/s1 |
| InChIKey | TXEJUZMIQVTZHO-LVMIJFGSSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C29H42O5 |
| Exact Mass | 470.303224 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fq3VLyMzHnv |
|---|---|
| Name | Zhankuic acid B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H42O5 |
| InChI | InChI=1S/C29H42O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-22,30H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19?,20?,21?,22-,28?,29?/m1/s1 |
| InChIKey | TXEJUZMIQVTZHO-LVMIJFGSSA-N |
| Molecular Weight | 470.650 g/mol |
| SMILES | OC(C(C(CC[C@](C1CCC2C3=C(C4(CC[C@]([C@](C4CC3=O)(C)[H])(O)[H])C)C(CC12C)=O)(C)[H])=C)C)=O |
| SPLASH | splash10-0002-9174300000-18a2d057a70e22d26f09 |
| Source of Spectrum | G4-58-1660-2 |
| Synonyms | (6R)-6-[(3R,4S)-3-hydroxy-4,10,13-trimethyl-7,11-dioxo-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methyleneheptanoic acid (6R)-6-[(3R,4S)-3-hydroxy-4,10,13-trimethyl-7,11-dioxo-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid (6R)-6-[(3R,4S)-3-hydroxy-4,10,13-trimethyl-7,11-dioxo-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylene-heptanoic acid (6R)-2-methyl-3-methylidene-6-[(3R,4S)-4,10,13-trimethyl-3-oxidanyl-7,11-bis(oxidanylidene)-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid |
| Wiley ID | 1606076 |