SpectraBase Spectrum ID |
HmPWcNQDsN1 |
Name |
(1R,3S,5Z)-5-[(E)-2-((1R,3aS,7aR)-Hexahydro-1-{(S)-1-[5-(2-hydroxypropan-2-yl)-1H-tetrazol-1-yl]propan-2-yl}-7a-methyl-1H-inden-4(7aH)-ylidene)ethylidene]-4-methylenecyclohexane-1,3-diol |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C26H40N4O3 |
InChI |
InChI=1S/C26H40N4O3/c1-16(15-30-24(25(3,4)33)27-28-29-30)21-10-11-22-18(7-6-12-26(21,22)5)8-9-19-13-20(31)14-23(32)17(19)2/h8-9,16,20-23,31-33H,2,6-7,10-15H2,1,3-5H3/b18-8+,19-9-/t16-,20-,21-,22+,23+,26-/m1/s1 |
InChIKey |
BJPRCINLFKJDLQ-LBZBXKOVSA-N |
Molecular Weight |
456.631 g/mol |
SMILES |
OC(c1[n](C[C@]([C@@]2([C@@]3([C@](\C(=C\C=C/4C([C@](C[C@@](C4)(O)[H])(O)[H])=C)CCC3)(CC2)[H])C)[H])(C)[H])nnn1)(C)C |
SPLASH |
splash10-0a50-0500900000-0bca11b962809f16696d |
Source of Spectrum |
F4-43-3891-4 |
Wiley ID |
1706644 |