| SpectraBase Spectrum ID |
4Nwljj8Dotw |
| Name |
(6R,8S,9S,10R,13R,14S,17R)-17-[(E,1R)-5-hydroperoxy-1,5-dimethyl-hex-3-enyl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H42O4 |
| InChI |
InChI=1S/C27H42O4/c1-17(7-6-12-25(2,3)31-30)20-8-9-21-19-16-24(29)23-15-18(28)10-13-27(23,5)22(19)11-14-26(20,21)4/h6,12,15,17,19-22,24,29-30H,7-11,13-14,16H2,1-5H3/b12-6+/t17-,19+,20-,21+,22+,24-,26-,27-/m1/s1 |
| InChIKey |
QQEUWBZMBRKWBL-RCMZTQOBSA-N |
| Molecular Weight |
430.629 g/mol |
| SMILES |
OOC(\C=C\C[C@]([C@]1(CC[C@]2([C@]3([C@@]([C@]4(CCC(C=C4[C@@](C3)(O)[H])=O)C)(CC[C@]12C)[H])[H])[H])[H])(C)[H])(C)C |
| SPLASH |
splash10-0006-9010000000-3a8caf7f72e9ba5ccaa5 |
| Source of Spectrum |
G4-60-903-2 |
| Synonyms |
(6R,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-6-(dioxidanyl)-6-methyl-hept-4-en-2-yl]-10,13-dimethyl-6-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
(6R,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-6-hydroperoxy-6-methylhept-4-en-2-yl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| Wiley ID |
1606819 |
