| SpectraBase Spectrum ID |
Irl0UBy32P8 |
| Name |
Lupenone |
| Alternate Name(s) |
(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)icosahydro-9H-cyclopenta[a]chrysen-9-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H48O |
| InChI |
InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1 |
| InChIKey |
GRBHNQFQFHLCHO-BHMAJAPKSA-N |
| Molecular Weight |
424.713 g/mol |
| SMILES |
C1C[C@]2([C@](C(C1=O)(C)C)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]1([C@@]2([C@@](CC1)(C(C)=C)[H])[H])C)C)[H])[H])C)[H])C |
| SPLASH |
splash10-00di-9022200000-dcfc76f86fc810b2c1c5 |
| Source of Spectrum |
QA-44-381-7 |
| Wiley ID |
1795070 |
