![Herbanate[赫巴内特]](https://newcny.com/wp-content/uploads/2024/08/116126-82-0.svg)
CAS Registry Number®
116126-82-0
CAS Name
rel-Ethyl (1R,2R,3R,4S)-3-(1-methylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
Molecular Formula
C13H20O2
Molecular Mass
208.30
Other Names and Identifiers
InChI
InChI=1/C13H20O2/c1-4-15-13(14)12-10-6-5-9(7-10)11(12)8(2)3/h5-6,8-12H,4,7H2,1-3H3/t9-,10+,11-,12-/s2
InChIKey
InChIKey=HJEFAEQTNTXLHL-IHABCUPINA-N
SMILES
C(OCC)(=O)[C@H]1[C@H]([C@@H](C)C)[C@]2(C[C@@]1(C=C2)[H])[H]
Canonical SMILES
O=C(OCC)C1C2C=CC(C2)C1C(C)C
Other Names for this Substance
- Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (1R,2R,3R,4S)-rel–
- Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (2-exo,3-endo)-
- rel-Ethyl (1R,2R,3R,4S)-3-(1-methylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
- Herbanate
