| SpectraBase Spectrum ID |
ESOr1E8mEse |
| Name |
LUP-20(29)-ENE-3,28-DIOL, (3.BETA.)- |
| CAS Registry Number |
473-98-3 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
442.381080848 u |
| Formula |
C30H50O2 |
| InChI |
InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21-,22-,23+,24-,25-,27-,28+,29+,30+/m0/s1 |
| InChIKey |
FVWJYYTZTCVBKE-WUKVYDFWSA-N |
| Molecular Weight |
442.728 g/mol |
| Nominal Mass |
442 u |
| Number of Peaks |
353 |
| SMILES |
OC[C@]12CC[C@]([C@]1([C@@]1(CC[C@@]3([C@]4(CC[C@@](C([C@@]4(CC[C@]3([C@@]1(CC2)C)C)[H])(C)C)(O)[H])C)[H])[H])[H])(C(=C)C)[H] |
| SPLASH |
splash10-0a4r-3940100000-1649199db149ebc9138f |
| Source File Reference |
LMCM-97063-034P |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
(1R,2R,5S,8R,9S,10S,13R,14R,17S,19R)-5-(hydroxymethyl)-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0(2,10).0(5,9).0(14,19)]henicosan-17-ol
LUP-20(29)-ENE-3,28-DIOL |
| Wiley ID |
8_39249 |
