| SpectraBase Spectrum ID |
1u8nMunDe2Q |
| Name |
(2Z,4E,6E,8E,10E,12E,14E,16E)-19-[(2R,4S)-2,4-Dihydroxy-2,6,6-trimethyl-cyclohexylidene]-3-hydroxy-1-[(1S,4R)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-4,8,13,17-tetramethyl-nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
616.412774898 u |
| Formula |
C40H56O5 |
| InChI |
InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-35-37(5,6)24-32(41)27-40(35,10)45)15-11-12-16-29(2)19-14-20-31(4)34(43)23-36(44)39(9)26-33(42)25-38(39,7)8/h11-21,23,32-33,41-43,45H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,34-23-/t22?,32-,33+,39+,40+/m0/s1 |
| InChIKey |
WFHXPAQOVQBWGU-NDTACIKISA-N |
| Molecular Weight |
616.883 g/mol |
| SMILES |
C1(=C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C(=C\C([C@@]2(C(C[C@](C2)(O)[H])(C)C)C)=O)O)C)C)C)C)[C@@](C[C@](CC1(C)C)(O)[H])(O)C |
![(2Z,4E,6E,8E,10E,12E,14E,16E)-19-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethyl-cyclohexylidene]-3-hydroxy-1-[(1S,4R)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-4,8,13,17-tetramethyl-nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one](/api/spectrum/1u8nMunDe2Q/structure.png?h=300&w=458 "(2Z,4E,6E,8E,10E,12E,14E,16E)-19-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethyl-cyclohexylidene]-3-hydroxy-1-[(1S,4R)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-4,8,13,17-tetramethyl-nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one")
