| SpectraBase Spectrum ID |
2vI08j5x5BY |
| Name |
(5aR,7S)-6-[(E)-2-(3,6,6,9a-tetramethyl-2-oxidanyl-4,5,5a,7,8,9-hexahydro-3H-benzo[b]oxepin-2-yl)ethenyl]-2,2,5a,7-tetramethyl-7-oxidanyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H50O5 |
| InChI |
InChI=1S/C30H50O5/c1-20-10-11-21-25(2,3)15-9-16-29(21,8)35-30(20,33)19-12-22-27(6)17-13-23(31)26(4,5)34-24(27)14-18-28(22,7)32/h12,19-22,24,32-33H,9-11,13-18H2,1-8H3/b19-12+/t20?,21?,22?,24?,27-,28+,29?,30?/m1/s1 |
| InChIKey |
HYBNTAIXYWGGDJ-JBJYSCQQSA-N |
| Molecular Weight |
490.725 g/mol |
| SMILES |
OC1(\C=C\C2[C@](CCC3[C@@]2(CCC(C(O3)(C)C)=O)C)(O)C)OC2(C(C(C)(C)CCC2)CCC1C)C |
| SPLASH |
splash10-052g-0793200000-c02412b7927e8f528b0f |
| Source of Spectrum |
G4-64-179-17 |
| Synonyms |
(5aR,7S)-7-hydroxy-6-[(E)-2-(2-hydroxy-3,6,6,9a-tetramethyl-4,5,5a,7,8,9-hexahydro-3H-benzo[b]oxepin-2-yl)ethenyl]-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one
(5aR,7S)-7-hydroxy-6-[(E)-2-(2-hydroxy-3,6,6,9a-tetramethyl-4,5,5a,7,8,9-hexahydro-3H-benzo[b]oxepin-2-yl)vinyl]-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one |
| Wiley ID |
1608763 |
