| SpectraBase Spectrum ID |
JQNUQpwXpYk |
| Name |
LUPAN-3-OL |
| CAS Registry Number |
3186-86-5 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
428.401816293 u |
| Formula |
C30H52O |
| InChI |
InChI=1S/C30H52O/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/h19-25,31H,9-18H2,1-8H3/t20-,21-,22-,23+,24?,25-,27+,28-,29+,30+/m0/s1 |
| InChIKey |
UBLNLUPLUKPSPP-YKCTXCJQSA-N |
| Molecular Weight |
428.745 g/mol |
| Nominal Mass |
428 u |
| Number of Peaks |
316 |
| SMILES |
OC1CC[C@@]2([C@]3(CC[C@]4([C@@]5([C@@](CC[C@@]5(CC[C@]4([C@@]3(CC[C@]2(C1(C)C)[H])C)C)C)(C(C)C)[H])[H])[H])[H])C |
| SPLASH |
splash10-0a71-6930100000-baf3ca755e0d37316793 |
| Source File Reference |
LMCM-38396-570P |
| Source of Spectrum |
Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms |
(1R,2R,5R,8S,9S,10S,13R,14R,19R)-1,2,5,14,18,18-hexamethyl-8-(propan-2-yl)pentacyclo[11.8.0.0(2,10).0(5,9).0(14,19)]henicosan-17-ol |
| Wiley ID |
8_13764 |
