| SpectraBase Spectrum ID |
Ah1BPzaEQ4N |
| Name |
Neoabietic acid methyl ester |
| Alternate Name(s) |
Methyl (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O2 |
| InChI |
InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h13,17-18H,6-12H2,1-5H3/t17-,18+,20+,21+/m0/s1 |
| InChIKey |
XLNYKQDSHLEWFW-UYWIDEMCSA-N |
| Molecular Weight |
316.485 g/mol |
| SMILES |
C1C[C@]2([C@@](CCC=3[C@@]2(CCC(C3)=C(C)C)[H])([C@@](C1)(C(OC)=O)C)[H])C |
| SPLASH |
splash10-00kr-0903000000-c68aab22c09fe2c5b640 |
| Source of Spectrum |
RCM-22-3713-Table1,entry29 |
| Wiley ID |
1814528 |
