| SpectraBase Spectrum ID |
E2dq8UwakuF |
| Name |
(3S)-5-[(1S,4aR,6R,8aR)-6-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid |
| Alternate Name(s) |
(3S)-5-[(1S,4aR,6R,8aR)-6-[(E)-3-(4-hydroxyphenyl)acryloyl]oxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methyl-valeric acid
(3S)-5-[(1S,4aR,6R,8aR)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methyl-pentanoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H40O5 |
| InChI |
InChI=1S/C29H40O5/c1-19(18-26(31)32)6-13-23-20(2)7-14-24-28(3,4)25(16-17-29(23,24)5)34-27(33)15-10-21-8-11-22(30)12-9-21/h7-12,15,19,23-25,30H,6,13-14,16-18H2,1-5H3,(H,31,32)/b15-10+/t19-,23-,24-,25+,29+/m0/s1 |
| InChIKey |
NXBXXIQYAWOZQT-BKKSLFJISA-N |
| Molecular Weight |
468.634 g/mol |
| SMILES |
Oc1ccc(\C=C\C(O[C@]2(C([C@]3([C@@]([C@@](CC[C@@](CC(=O)O)(C)[H])(C(=CC3)C)[H])(CC2)C)[H])(C)C)[H])=O)cc1 |
| SPLASH |
splash10-001i-2912000000-b104c831c81d3f366afa |
| Source of Spectrum |
G4-62-1002-1 |
| Wiley ID |
1607929 |
![(3S)-5-[(1S,4aR,6R,8aR)-6-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid](/api/spectrum/E2dq8UwakuF/structure.png?h=300&w=458 "(3S)-5-[(1S,4aR,6R,8aR)-6-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid")
