| SpectraBase Spectrum ID |
KShjc3w3IMR |
| Name |
13,27-CYCLOURSAN-3-OL, ACETATE, (3.BETA.,13.BETA.,14.BETA.)- |
| CAS Registry Number |
100324-79-6 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
468.396730912 u |
| Formula |
C32H52O2 |
| InChI |
InChI=1S/C32H52O2/c1-20-9-13-28(6)17-18-32-19-31(32,26(28)21(20)2)16-11-24-29(7)14-12-25(34-22(3)33)27(4,5)23(29)10-15-30(24,32)8/h20-21,23-26H,9-19H2,1-8H3/t20-,21+,23?,24-,25+,26-,28-,29+,30-,31?,32?/m1/s1 |
| InChIKey |
JLNPCDQETWAXSL-BUTDYHPMSA-N |
| Molecular Weight |
468.766 g/mol |
| Nominal Mass |
468 u |
| Number of Peaks |
366 |
| SMILES |
[C@]1(CC[C@@]2([C@]3(CCC45[C@@]6([C@]([C@@](CC[C@@]6(CCC5([C@@]3(CCC2C1(C)C)C)C4)C)(C)[H])(C)[H])[H])[H])C)(OC(C)=O)[H] |
| SPLASH |
splash10-06dv-5930100000-fba34673634793e48a0e |
| Source File Reference |
LMCM-82339-865E |
| Source of Spectrum |
Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms |
13,27-CYCLOURSAN-3-OL, ACETATE, (3BETA,13BETA,14BETA)-
13-METHYL-URSAN-3-OL, ACETATE, (3.BETA.,13.BETA.,14.BETA.)-
(2R,7S,10R,11R,15R,16S,17R,20R)-2,6,6,10,16,17,20-heptamethylhexacyclo[12.8.1.0(1,14).0(2,11).0(5,10).0(15,20)]tricosan-7-yl acetate |
| Wiley ID |
8_21517 |
