SpectraBase Spectrum ID |
JA6ILMDV2DW |
Name |
Benz[f]azulene-5,8-diol, tetradecahydro-3a,5,8a-trimethyl-1-(1-methylethenyl)-, 8-acetate, (1.alpha.,3a.beta.,4a.beta.,5.beta.,8.alpha.,8a.alpha.,10a.alpha.)- |
CAS Registry Number |
69301-39-9 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C22H36O3 |
InChI |
InChI=1S/C22H36O3/c1-14(2)16-7-10-20(4)13-18-21(5,11-8-17(16)20)19(25-15(3)23)9-12-22(18,6)24/h16-19,24H,1,7-13H2,2-6H3/t16-,17-,18-,19-,20+,21-,22-/m0/s1 |
InChIKey |
COYCLQQZHCCJKA-GDLCRWSOSA-N |
Molecular Weight |
348.527 g/mol |
SMILES |
O[C@@]1([C@@]2([C@@]([C@@](OC(=O)C)(CC1)[H])(CC[C@]1([C@](C(=C)C)(CC[C@@]1(C2)C)[H])[H])C)[H])C |
SPLASH |
splash10-0a4i-0952000000-d6a49d66e31212b911d9 |
Source of Spectrum |
F-34-1555-0 |
Synonyms |
(1R,3aR,4aS,5S,8S,8aS,10aS)-5-hydroxy-1-isopropenyl-3a,5,8a-trimethyltetradecahydrobenzo[f]azulen-8-yl acetate
1.alpha.-hydroxy-4.beta.-acetoxyclavular-17-ene |
Wiley ID |
1340987 |