2-{3-[(4E)-6-Acetoxy-2-hydroxy-6-methyl-3-oxo-4-hepten-2-yl]-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl}-2-methylpropanoic acid

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Systematic / IUPAC Name: 2-{3-[(4E)-6-Acetoxy-2-hydroxy-6-methyl-3-oxo-4-hepten-2-yl]-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl}-2-methylpropanoic acid

ID: Reference7754

Other Names: 1H-Benz[E]indene-6,7-diacetic acid, 3-[(3E)-5-(acetyloxy)-1-hydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-2-hydroxy-α7,α7,3a,5a,9b-pentamethyl-5-oxo-

Formula: C32H46O10

Spectral Data

2-{3-[(4E)-6-Acetoxy-2-hydroxy-6-methyl-3-oxo-4-hepten-2-yl]-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl}-2-methylpropanoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/11/2018 10:32:48 AM
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Identificators

InChI InChI=1S/C32H46O10/c1-17(33)42-27(2,3)13-12-22(35)32(9,41)25-20(34)15-29(6)21-11-10-18(28(4,5)26(39)40)19(14-24(37)38)31(21,8)23(36)16-30(25,29)7/h10,12-13,19-21,25,34,41H,11,14-16H2,1-9H3,(H,37,38)(H,39,40)/b13-12+
InChI Key AEGZYCGXUREGSM-OUKQBFOZSA-N
Canonical SMILES CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C(C3CC(=O)O)C(C)(C)C(=O)O)C)C)C)O)O
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Other Names 1H-Benz[E]indene-6,7-diacetic acid, 3-[(3E)-5-(acetyloxy)-1-hydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-2-hydroxy-α7,α7,3a,5a,9b-pentamethyl-5-oxo-

In Other Databases

PubChem 45359752
ChemSpider 22913540