Verrucarin J

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Systematic / IUPAC Name: (1'R,3'R,8'R,12'E,18'E,20'Z,24'R,25'S)-5',13',25'-Trimethyl-11'H,17'H,22'H-spiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.03,8 08,25]heptacosa[4,12,18,20]tetraene]-11',17',22'-trione

ID: Reference7597

Other Names: (4E,10E,12Z,16R,16aS,17S,18R,19aR,23aR)-5,16a,21-Trimethyl-6,7,16,16a,22,23-hexahydro-3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,9,14-trione

Formula: C27H32O8

Spectral Data

Verrucarin J 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 3/20/2018 2:42:09 PM
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Identificators

InChI InChI=1S/C27H32O8/c1-17-8-10-26-15-32-24(30)13-18(2)9-11-31-22(28)6-4-5-7-23(29)35-19-14-21(34-20(26)12-17)27(16-33-27)25(19,26)3/h4-7,12-13,19-21H,8-11,14-16H2,1-3H3/b6-4+,7-5-,18-13+/t19-,20-,21-,25-,26-,27+/m1/s1
InChI Key GXCGYHWSYNQVHU-GYDJLPFWSA-N
Canonical SMILES CC1=CC2C3(CC1)COC(=O)C=C(CCOC(=O)C=CC=CC(=O)OC4C3(C5(CO5)C(C4)O2)C)C
CAS
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Other Names (4E,10E,12Z,16R,16aS,17S,18R,19aR,23aR)-5,16a,21-Trimethyl-6,7,16,16a,22,23-hexahydro-3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,9,14-trione

In Other Databases

ChEMBL CHEMBL507752
PubChem 12444784
ChemSpider 10210057