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2-[(6aR,9R,10aR)-6a,7,8,9,10,10a-Hexahydro-1,9-dihydroxy-6,6-dimethyl-6H-benzo[c]chromen-3-yl]-2-methylpropanoic Acid
SpectraBase Compound ID JhtoUWHAID5
InChI InChI=1S/C19H26O5/c1-18(2,17(22)23)10-7-14(21)16-12-9-11(20)5-6-13(12)19(3,4)24-15(16)8-10/h7-8,11-13,20-21H,5-6,9H2,1-4H3,(H,22,23)/t11-,12-,13-/m1/s1
InChIKey HAHQDEMAJARYLR-JHJVBQTASA-N
Mol Weight 334.41 g/mol
Molecular Formula C19H26O5
Exact Mass 334.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51RkSohiT2
Name 2-[(6aR,9R,10aR)-6a,7,8,9,10,10a-Hexahydro-1,9-dihydroxy-6,6-dimethyl-6H-benzo[c]chromen-3-yl]-2-methylpropanoic Acid
Appearance Light yellow gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O5
InChI InChI=1S/C19H26O5/c1-18(2,17(22)23)10-7-14(21)16-12-9-11(20)5-6-13(12)19(3,4)24-15(16)8-10/h7-8,11-13,20-21H,5-6,9H2,1-4H3,(H,22,23)/t11-,12-,13-/m1/s1
InChIKey HAHQDEMAJARYLR-JHJVBQTASA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.6b00717
SMILES OC(C(c1cc2OC([C@@]3(CC[C@](C[C@]3(c2c(c1)O)[H])(O)[H])[H])(C)C)(C)C)=O
SPLASH splash10-001i-0398000000-a7481b0e236e9ae23c7b
Source of Spectrum AF-59-6912-4c
Wiley ID 1848866