(1α,2α,3β,5ξ,9ξ,18ξ)-1,2,3,19-Tetrahydroxyurs-12-en-28-oic acid
7684
Reference
(1α,2α,3β,5ξ,9ξ,18ξ)-1,2,3,19-Tetrahydroxyurs-12-en-28-oic acid Structure
Systematic / IUPAC Name: (1α,2α,3β,5ξ,9ξ,18ξ)-1,2,3,19-Tetrahydroxyurs-12-en-28-oic acid
ID: Reference7684
Other Names: Urs-12-en-28-oic acid, 1,2,3,19-tetrahydroxy-, (1α,2α,3β,5ξ,9ξ,18ξ)-
Formula: C30H48O6
Spectral Data
(1α,2α,3β,5ξ,9ξ,18ξ)-1,2,3,19-Tetrahydroxyurs-12-en-28-oic acid 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 | 1 |
| No. of Spectra | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/4/2018 7:11:32 AM |
Identificators
| InChI | InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18?,19?,20+,21?,22+,23+,26-,27-,28+,29-,30+/m1/s1 |
| InChI Key | VULLSLYDWNGNKZ-WSUAMRMCSA-N |
| Canonical SMILES | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(C(C(C(C5(C)C)O)O)O)C)C)C2C1(C)O)C)C(=O)O |
| CAS | |
| Splash | |
| Other Names | Urs-12-en-28-oic acid, 1,2,3,19-tetrahydroxy-, (1α,2α,3β,5ξ,9ξ,18ξ)- |