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Cyclonona[4,5]pyrano[2,3-b]oxepin-7-ol, 4,5a,7,7a,8,9,10,13,14,14a-decahydro-4,4,12-trimethyl-8-methylene-, [5aS-(5aR*,7R*,7aS*,11E,14aR*)]-
SpectraBase Compound ID Cm2huU9S5pM
InChI InChI=1S/C20H28O3/c1-13-7-5-8-14(2)17-15(11-10-13)16-9-6-12-20(3,4)23-19(16)22-18(17)21/h6-7,9,12,15,17-19,21H,2,5,8,10-11H2,1,3-4H3/b13-7-/t15-,17+,18+,19-/m0/s1
InChIKey AZNWMLNRLJCFPZ-GHURUMHUSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EyjKRpkX1gb
Name Cyclonona[4,5]pyrano[2,3-b]oxepin-7-ol, 4,5a,7,7a,8,9,10,13,14,14a-decahydro-4,4,12-trimethyl-8-methylene-, [5aS-(5aR*,7R*,7aS*,11E,14aR*)]-
CAS Registry Number 82490-37-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-13-7-5-8-14(2)17-15(11-10-13)16-9-6-12-20(3,4)23-19(16)22-18(17)21/h6-7,9,12,15,17-19,21H,2,5,8,10-11H2,1,3-4H3/b13-7-/t15-,17+,18+,19-/m0/s1
InChIKey AZNWMLNRLJCFPZ-GHURUMHUSA-N
Molecular Weight 316.441 g/mol
SMILES O[C@@]1(O[C@@]2(C([C@]3([C@]1(C(=C)CC\C=C/(CC3)C)[H])[H])=CC=CC(O2)(C)C)[H])[H]
SPLASH splash10-0aor-0920000000-16ce11fa411e76cb9c66
Source of Spectrum B-35-1002-0
Synonyms (5aR*,7R*,7aS*,11E,14aR*)-4,4,12-trimethyl-8-methylene-4,5a,7,7a,8,9,10,13,14,14a-decahydrocyclonona[4,5]pyrano[2,3-b]oxepin-7-ol (5aR,7R,7aS,14aR)-4,4,12-trimethyl-8-methylene-4,5a,7,7a,8,9,10,13,14,14a-decahydrocyclonona[4,5]pyrano[2,3-b]oxepin-7-ol
Wiley ID 1317067