| SpectraBase Spectrum ID |
BBheDLmUSWE |
| Name |
Angustanoic acid B |
| Alternate Name(s) |
(1R,2S,6S,7R,12S)-12-isopropenyl-2,6-dimethyl-13,14-dioxatetracyclo[10.2.2.0(1,10).0(2,7)]hexadec-10-ene-6-carboxylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O4 |
| InChI |
InChI=1S/C20H28O4/c1-13(2)19-10-11-20(24-23-19)14(12-19)6-7-15-17(3,16(21)22)8-5-9-18(15,20)4/h12,15H,1,5-11H2,2-4H3,(H,21,22)/t15-,17-,18-,19-,20+/m0/s1 |
| InChIKey |
WMBGNPQDZHRODL-ONSCTEFMSA-N |
| Molecular Weight |
332.440 g/mol |
| SMILES |
OC([C@@]1([C@]2([C@@]([C@@]34C(=C[C@@](CC4)(C(=C)C)OO3)CC2)(CCC1)C)[H])C)=O |
| SPLASH |
splash10-0udr-3069000000-78cc8817ead111f0459c |
| Source of Spectrum |
G4-61-911-4 |
| Wiley ID |
1607341 |
