| SpectraBase Spectrum ID |
90YqU01ixZl |
| Name |
3beta-acetoxyursan-9(11),12-diene |
| CAS Registry Number |
41607-46-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H50O2 |
| InChI |
InChI=1S/C32H50O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h10-11,20-21,24,26-27H,12-19H2,1-9H3/t20-,21+,24?,26+,27+,29-,30+,31-,32-/m1/s1 |
| InChIKey |
AEZBHHCJDSVHSL-VKBXJDJUSA-N |
| Molecular Weight |
466.750 g/mol |
| SMILES |
C1=2[C@]([C@@]3(CCC4[C@@](C3=CC2)(CC[C@](OC(=O)C)(C4(C)C)[H])C)C)(CC[C@@]2([C@]1([C@]([C@@](CC2)(C)[H])(C)[H])[H])C)C |
| SPLASH |
splash10-066r-0362900000-7c7d3d2ef79cc77d25ca |
| Source of Spectrum |
W5-1989-33491-32045 |
| Synonyms |
(3beta)-ursa-9(11),12-dien-3-yl acetate
3.beta.-acetoxyursan-9(11),12-diene |
| Wiley ID |
1392085 |
