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(R,S)-9,10-Dihydro-2-[4(e)-formylcyclohex-(e)-yl]-5,8-dimethoxy-9,10-(o-benzeno)anthracene-1,4-diol
SpectraBase Compound ID BYILqS55y5V
InChI InChI=1S/C29H28O5/c1-33-21-11-12-22(34-2)27-24-18-6-4-3-5-17(18)23(26(21)27)25-20(31)13-19(29(32)28(24)25)16-9-7-15(14-30)8-10-16/h3-6,11-16,23-24,31-32H,7-10H2,1-2H3/t15-,16-,23-,24-/m0/s1
InChIKey KDQULUUFBWNRJM-TWJSWXTQSA-N
Mol Weight 456.54 g/mol
Molecular Formula C29H28O5
Exact Mass 456.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sbf5lSurVH
Name (R,S)-9,10-Dihydro-2-[4(e)-formylcyclohex-(e)-yl]-5,8-dimethoxy-9,10-(o-benzeno)anthracene-1,4-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28O5
InChI InChI=1S/C29H28O5/c1-33-21-11-12-22(34-2)27-24-18-6-4-3-5-17(18)23(26(21)27)25-20(31)13-19(29(32)28(24)25)16-9-7-15(14-30)8-10-16/h3-6,11-16,23-24,31-32H,7-10H2,1-2H3/t15-,16-,23-,24-/m0/s1
InChIKey KDQULUUFBWNRJM-TWJSWXTQSA-N
Molecular Weight 456.538 g/mol
SMILES Oc1c2[C@]3(c4c([C@@](c2c(c(c1)[C@]1(CC[C@](C=O)(CC1)[H])[H])O)(c1c3cccc1)[H])c(ccc4OC)OC)[H]
SPLASH splash10-0a4i-0000900000-7dc1d766a5a890c3247b
Source of Spectrum F-57-10100-32
Synonyms 4-(3,6-dihydroxy-10,13-dimethoxypentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl)cyclohexanecarbaldehyde
Wiley ID 1626658