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(3bS,5aR,7R,9aR,9bR)-3b-(hydroxymethyl)-6,6,9a-trimethyl-7-oxidanyl-4,5,5a,7,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-8-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(3bS,5aR,7R,9aR,9bR)-3b-(hydroxymethyl)-6,6,9a-trimethyl-7-oxidanyl-4,5,5a,7,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-8-one
SpectraBase Compound ID 2leoB76RFgO
InChI InChI=1S/C20H28O4/c1-18(2)15-6-7-20(11-21)13-10-24-9-12(13)4-5-16(20)19(15,3)8-14(22)17(18)23/h9-10,15-17,21,23H,4-8,11H2,1-3H3/t15-,16+,17-,19-,20+/m0/s1
InChIKey UWPBUVZNLJKNQJ-SQIBXOBRSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9RnKdjQI5WD
Name (3bs,5ar,7R,9ar,9br)-3B-(Hydroxymethyl)-6,6,9A-trimethyl-7-oxidanyl-4,5,5A,7,9,9B,10,11-octahydronaphtho[2,1-E][2]benzofuran-8-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.198759378 u
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-18(2)15-6-7-20(11-21)13-10-24-9-12(13)4-5-16(20)19(15,3)8-14(22)17(18)23/h9-10,15-17,21,23H,4-8,11H2,1-3H3/t15-,16+,17-,19-,20+/m0/s1
InChIKey UWPBUVZNLJKNQJ-SQIBXOBRSA-N
Molecular Weight 332.440 g/mol
SMILES [C@@]12([C@@]3([C@@](C4=COC=C4CC3)(CO)CC[C@]2(C(C)(C)[C@](C(C1)=O)(O)[H])[H])[H])C