| SpectraBase Compound ID | 4RS2u6HFpOB |
|---|---|
| InChI | InChI=1S/C31H48O3/c1-19(32)34-26-13-15-29(6)24(28(26,4)5)12-16-30(7)25(29)10-9-22-21-17-27(2,3)14-11-20(21)23(33)18-31(22,30)8/h22,24-26H,9-18H2,1-8H3/t22-,24+,25-,26+,29+,30-,31-/m1/s1 |
| InChIKey | CZKGQRJLWZNARM-QVJUYHRRSA-N |
| Mol Weight | 468.7 g/mol |
| Molecular Formula | C31H48O3 |
| Exact Mass | 468.360345 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | syau1uZqLL |
|---|---|
| Name | 28-Norolean-17-en-16-one, 3-(acetyloxy)-, (3.beta.,13.alpha.)- |
| Alternate Name(s) | (3S,4aR,6aR,6bR,12bR,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,12b,13,14,14a,14b-icosahydro-3-picenyl acetate 3.beta.-acetoxy-16-oxo-17-en-28-noroleanane Maragenin III acetate |
| CAS Registry Number | 71545-15-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H48O3 |
| InChI | InChI=1S/C31H48O3/c1-19(32)34-26-13-15-29(6)24(28(26,4)5)12-16-30(7)25(29)10-9-22-21-17-27(2,3)14-11-20(21)23(33)18-31(22,30)8/h22,24-26H,9-18H2,1-8H3/t22-,24+,25-,26+,29+,30-,31-/m1/s1 |
| InChIKey | CZKGQRJLWZNARM-QVJUYHRRSA-N |
| Molecular Weight | 468.722 g/mol |
| SMILES | [C@@]12([C@]3([C@]([C@]4(CC[C@@](C([C@@]4(CC3)[H])(C)C)(OC(=O)C)[H])C)([H])CC[C@@]1(C=1CC(C)(C)CCC1C(C2)=O)[H])C)C |
| SPLASH | splash10-0ktf-9671200000-a48c8f19c4fafc6505ec |
| Source of Spectrum | F-35-419-0 |
| Wiley ID | 1392508 |