(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
(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 Structure
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.
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 |
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 | |
| Splash | |
| 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)- |