Japonicone O

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Systematic / IUPAC Name: (1'R,2'R,3S,3aS,4R,4'R,8'S,12'R,15'R)-15'-Acetoxy-5-[(2R)-5-hydroxy-2-pentanyl]-2',6,11'-trimethyl-7'-methylene-2,6'-dioxo-3a,4,7,7a-tetrahydrospiro[1-benzofuran-3,13'-[5]oxatetracyclo[10.2.1.0~1,10~ 0~4,8~]pentadec[10]en]-4-yl 2-methylbutanoate

ID: Reference8070

Other Names:

Formula: C37H50O9

Spectral Data

Japonicone O 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 62
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 6/14/2018 7:47:29 AM
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Identificators

InChI InChI=1S/C37H50O9/c1-9-17(2)33(40)46-31-28(18(3)11-10-12-38)19(4)13-27-30(31)37(35(42)45-27)16-36-20(5)14-26-24(21(6)34(41)44-26)15-25(36)22(7)29(37)32(36)43-23(8)39/h17-18,20,24,26-27,29-32,38H,6,9-16H2,1-5,7-8H3/t17?,18-,20-,24+,26-,27+,29+,30+,31+,32?,36-,37+/m1/s1
InChI Key BSGBVUOHKNZIES-RRLUUNRYSA-N
Canonical SMILES CCC(C)C(=O)OC1C2C(CC(=C1C(C)CCCO)C)OC(=O)C23CC45C(CC6C(CC4=C(C3C5OC(=O)C)C)C(=C)C(=O)O6)C
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In Other Databases

PubChem 75528894
ChemSpider 64892242