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Crocusatin-J
SpectraBase Compound ID 7QKtxuFUnaL
InChI InChI=1S/C10H16O3/c1-6-4-8(12)9(13)10(2,3)7(6)5-11/h5,8-9,12-13H,4H2,1-3H3/t8-,9-/m1/s1
InChIKey YDOIHIWSLMXTHV-RKDXNWHRSA-N
Mol Weight 184.23 g/mol
Molecular Formula C10H16O3
Exact Mass 184.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5D67UqSYef0
Name Crocusatin-J
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O3
InChI InChI=1S/C10H16O3/c1-6-4-8(12)9(13)10(2,3)7(6)5-11/h5,8-9,12-13H,4H2,1-3H3/t8-,9-/m1/s1
InChIKey YDOIHIWSLMXTHV-RKDXNWHRSA-N
Instrument Name VG70-250S
Ionization Type EI
Literature Reference DOI 10.1021/np0302854
Molecular Weight 184.235 g/mol
Optical Rotation [a]D25 = +68 (c = 0.02, MeOH)
Reported Formula C10H16O3
SMILES O[C@]1(C(C(=C(C[C@]1(O)[H])C)C=O)(C)C)[H]
SPLASH splash10-0f6x-0900000000-c5b5b2f024bf0c4a54f5
Source of Spectrum G4-67-440-1
Wiley ID 1881674