| SpectraBase Spectrum ID |
2pGagbgTBY |
| Name |
3.beta.-Acetoxy-20-hydroperoxy-30-nor-lupane |
| Alternate Name(s) |
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS,13bR)-1-(1-hydroperoxyethyl)-3a,5a,5b,8,8,11a-hexamethylicosahydro-1H-cyclopenta[a]chrysen-9-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H52O4 |
| InChI |
InChI=1S/C31H52O4/c1-19(35-33)21-11-14-28(5)17-18-30(7)22(26(21)28)9-10-24-29(6)15-13-25(34-20(2)32)27(3,4)23(29)12-16-31(24,30)8/h19,21-26,33H,9-18H2,1-8H3/t19?,21-,22-,23-,24+,25-,26-,28+,29-,30+,31+/m0/s1 |
| InChIKey |
KHDIRIGQBDNIRR-CDVQQOQYSA-N |
| Molecular Weight |
488.753 g/mol |
| SMILES |
OOC([C@]1([C@]2([C@]3([C@]([C@]4([C@]([C@]5(CC[C@@](C([C@@]5(CC4)[H])(C)C)(OC(=O)C)[H])C)([H])CC3)C)(CC[C@]2(CC1)C)C)[H])[H])[H])C |
| SPLASH |
splash10-0ab9-9102000000-bed25fc2f27cd1a2f337 |
| Source of Spectrum |
G4-64-439-5 |
| Wiley ID |
1608908 |
