| SpectraBase Compound ID | 1Yy9fuosCUN |
|---|---|
| InChI | InChI=1S/C32H52O4/c1-21(11-10-15-28(2,3)36-9)22-14-16-31(7)27-25(35-8)19-24-23(12-13-26(34)29(24,4)5)32(27,20-33)18-17-30(22,31)6/h10,15,19-23,25-27,34H,11-14,16-18H2,1-9H3/b15-10+/t21-,22-,23-,25+,26+,27+,30-,31+,32-/m1/s1 |
| InChIKey | RJZHRGIIKCKCRF-NUDRNVDMSA-N |
| Mol Weight | 500.8 g/mol |
| Molecular Formula | C32H52O4 |
| Exact Mass | 500.38656 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8ZS31dlZA8A |
|---|---|
| Name | 3.beta.-Hydroxy-7.beta.,25-dimethoxycucurbita-5,23-dien-19-al |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H52O4 |
| InChI | InChI=1S/C32H52O4/c1-21(11-10-15-28(2,3)36-9)22-14-16-31(7)27-25(35-8)19-24-23(12-13-26(34)29(24,4)5)32(27,20-33)18-17-30(22,31)6/h10,15,19-23,25-27,34H,11-14,16-18H2,1-9H3/b15-10+/t21-,22-,23-,25+,26+,27+,30-,31+,32-/m1/s1 |
| InChIKey | RJZHRGIIKCKCRF-NUDRNVDMSA-N |
| Molecular Weight | 500.764 g/mol |
| SMILES | O[C@@]1(C(C2=C[C@@]([C@@]3([C@]([C@@]2(CC1)[H])(CC[C@]1([C@]3(CC[C@@]1([C@@](C\C=C\C(OC)(C)C)(C)[H])[H])C)C)C=O)[H])(OC)[H])(C)C)[H] |
| SPLASH | splash10-0595-5922500000-c038b0c7036c2e0cfc23 |
| Source of Spectrum | X2-68-809-3 |
| Synonyms | (3S,7S,8S,9R,10R,13R,14S,17R)-3-hydroxy-7-methoxy-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carboxaldehyde (3S,7S,8S,9R,10R,13R,14S,17R)-3-hydroxy-7-methoxy-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde (3S,7S,8S,9R,10R,13R,14S,17R)-7-methoxy-17-[(E,2R)-6-methoxy-6-methyl-hept-4-en-2-yl]-4,4,13,14-tetramethyl-3-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde |
| Wiley ID | 1609558 |