SpectraBase Spectrum ID |
9hy1ayAIbxX |
Name |
9,19-CYCLOLANOST-24-EN-3-OL, ACETATE |
CAS Registry Number |
124094-10-6 |
Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
468.396730912 u |
Formula |
C32H52O2 |
InChI |
InChI=1S/C32H52O2/c1-21(2)10-9-11-22(3)24-14-16-30(8)26-13-12-25-28(5,6)27(34-23(4)33)15-17-31(25)20-32(26,31)19-18-29(24,30)7/h10,22,24-27H,9,11-20H2,1-8H3/t22-,24-,25?,26+,27?,29-,30+,31-,32?/m1/s1 |
InChIKey |
PQNTWKDHNSWVPU-ABPURZGDSA-N |
Molecular Weight |
468.766 g/mol |
Nominal Mass |
468 u |
Number of Peaks |
296 |
SMILES |
C1(CC[C@@]23C4(CC[C@@]5([C@](CC[C@]5([C@@]4(CCC3C1(C)C)[H])C)([C@@](CCC=C(C)C)(C)[H])[H])C)C2)OC(C)=O |
SPLASH |
splash10-0aor-5952200000-05253abef3039632a3e8 |
Source File Reference |
LMCM-56666-998V |
Source of Spectrum |
Prof. J. Seibl; ETH Zurich, Switzerland |
Synonyms |
(3R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.0(1,3).0(3,8).0(12,16)]octadecan-6-yl acetate
1-(1,5-DIMETHYL-4-HEXENYL)-3A,6,6,12A-TETRAMETHYLTETRADECAHYDRO-1H-CYCLOPENTA[A]CYCLOPROPA[E]PHENANTHREN-7-YL ACETATE |
Wiley ID |
8_23317 |