(1S,7S,8S,9R,10S,11S,13S,16S)-6,9,12,17-Tetrahydroxy-16-methyl-8-(2-methyl-2-propanyl)-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11 03,7 07,11 013,17]nonadecane-5,15,18-trione

Systematic / IUPAC Name: (1S,7S,8S,9R,10S,11S,13S,16S)-6,9,12,17-Tetrahydroxy-16-methyl-8-(2-methyl-2-propanyl)-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11 03,7 07,11 013,17]nonadecane-5,15,18-trione

ID: Reference7804

Other Names: 6H-9,4a-(Epoxymethano)-3aH,9H-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d]furan-2,6,13(1H)-trione, 11-(1,1-dimethylethyl)hexahydro-1,4b,8,10-tetrahydroxy-5-methyl-, (4aS,5S,7aS,8aS,9S,10R,11S,11aS)-

Formula: C20H24O11

Spectral Data

(1S,7S,8S,9R,10S,11S,13S,16S)-6,9,12,17-Tetrahydroxy-16-methyl-8-(2-methyl-2-propanyl)-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11 03,7 07,11 013,17]nonadecane-5,15,18-trione 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 2
No. of Spectra 2793
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/19/2018 7:55:11 AM
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Identificators

InChI InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8?,9+,10-,11+,15+,17+,18?,19-,20+/m1/s1
InChI Key AMOGMTLMADGEOQ-OOLNSWIYSA-N
Canonical SMILES CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5O)C(C)(C)C)C(C(=O)OC6O4)O)O
CAS
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Other Names 6H-9,4a-(Epoxymethano)-3aH,9H-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d]furan-2,6,13(1H)-trione, 11-(1,1-dimethylethyl)hexahydro-1,4b,8,10-tetrahydroxy-5-methyl-, (4aS,5S,7aS,8aS,9S,10R,11S,11aS)-

In Other Databases

PubChem 45359815
ChemSpider 22913590