Ambrosic acid

enlarge

Systematic / IUPAC Name: 2-[(1R,5S,7R,8S,10S)-5,10-Dimethyl-4-oxo-11-oxatricyclo[6.2.1.01,5]undec-7-yl]acrylic acid

ID: Reference7522

Other Names: 1H-3a,6-Epoxyazulene-7-acetic acid, octahydro-4,8a-dimethyl-α-methylene-1-oxo-, (3aR,4S,6S,7R,8aS)- ;
2-[(1R,5S,7R,8S,10S)-5,10-dimethyl-4-oxo-11-oxatricyclo[6.2.1.0¹,5]undecan-7-yl]prop-2-enoic acid

Formula: C15H20O4

Spectral Data

Ambrosic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 3
No. of Spectra 6447
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/13/2018 9:14:51 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C15H20O4/c1-8-6-11-10(9(2)13(17)18)7-14(3)12(16)4-5-15(8,14)19-11/h8,10-11H,2,4-7H2,1,3H3,(H,17,18)/t8-,10+,11-,14+,15+/m0/s1
InChI Key ZONXEWIGPLHXNT-ULEBWITMSA-N
Canonical SMILES CC1CC2C(CC3(C1(O2)CCC3=O)C)C(=C)C(=O)O
CAS
Splash
Other Names 1H-3a,6-Epoxyazulene-7-acetic acid, octahydro-4,8a-dimethyl-α-methylene-1-oxo-, (3aR,4S,6S,7R,8aS)- ;
2-[(1R,5S,7R,8S,10S)-5,10-dimethyl-4-oxo-11-oxatricyclo[6.2.1.0¹,5]undecan-7-yl]prop-2-enoic acid

In Other Databases

ChemSpider 29814899
PubChem 75368818