| SpectraBase Spectrum ID |
B0Am7FdRhOC |
| Name |
Methyl acetylbetulinate |
| CAS Registry Number |
4356-30-3 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
512.386560150 u |
| Formula |
C33H52O4 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C33H52O4/c1-20(2)22-12-17-33(28(35)36-9)19-18-31(7)23(27(22)33)10-11-25-30(6)15-14-26(37-21(3)34)29(4,5)24(30)13-16-32(25,31)8/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,30-,31+,32+,33-/m0/s1 |
| InChIKey |
FBSVHROTXUJUHS-ODLWIBRJSA-N |
| Molecular Weight |
512.775 g/mol |
| Nominal Mass |
512 u |
| Number of Peaks |
389 |
| SMILES |
[C@]1(OC(=O)C)(C([C@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@@]5([C@@](CC4)(CC[C@]5(C(C)=C)[H])C(OC)=O)[H])(CC3)[H])C)(CC2)C)[H])(CC1)C)[H])(C)C)[H] |
| SPLASH |
splash10-052u-3930000000-68fde603ee74ae2d83ba |
| Source |
Tentative; B. pendula twigs SFE extract; ZB-5MS column |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
Methyl 3.beta.-acetoxylup-20(29)-en-28-oate |
| Wiley ID |
VI001770 |
