| SpectraBase Spectrum ID |
JchpwheV07V |
| Name |
4,6-dimethyl-4-methlene-3,4-secocholes-5-en-3-al |
| Alternate Name(s) |
3-{(3R,3aR,5aS,6R,9aS,9bS)-3-[(1R)-1,5-dimethylhexyl]-7-isopropenyl-3a,6,8-trimethyl-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl}propanal |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H50O |
| InChI |
InChI=1S/C30H50O/c1-20(2)11-9-12-22(5)25-13-14-26-24-19-23(6)28(21(3)4)30(8,16-10-18-31)27(24)15-17-29(25,26)7/h18,20,22,24-27H,3,9-17,19H2,1-2,4-8H3/t22-,24+,25-,26+,27+,29-,30-/m1/s1 |
| InChIKey |
XXYFMTQFSBFASX-YQCNXHRBSA-N |
| Molecular Weight |
426.729 g/mol |
| SMILES |
[C@]1(C(=C(C)C[C@@]2([C@@]1(CC[C@@]1([C@]([C@@](CCCC(C)C)(C)[H])([H])CC[C@@]21[H])C)[H])[H])C(=C)C)(CCC=O)C |
| SPLASH |
splash10-014i-0009100000-86f85d65ff75c6d039b3 |
| Source of Spectrum |
AJ-56-3351-10 |
| Wiley ID |
1380283 |
