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3,9-Phenanthrenedione, 4,4a-dihydro-5,6,8-trihydroxy-7-(2-hydroxypropyl)-1,2,4a-trimethyl-, [R-(R*,S*)]-
SpectraBase Compound ID LiOBVlnCTav
InChI InChI=1S/C20H22O6/c1-8(21)5-11-17(24)15-13(22)6-12-9(2)10(3)14(23)7-20(12,4)16(15)19(26)18(11)25/h6,8,21,24-26H,5,7H2,1-4H3/t8-,20+/m1/s1
InChIKey RHZKGSAKRGMZTK-SQFXPLBJSA-N
Mol Weight 358.39 g/mol
Molecular Formula C20H22O6
Exact Mass 358.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7K8hUTJnm0G
Name 3,9-Phenanthrenedione, 4,4a-dihydro-5,6,8-trihydroxy-7-(2-hydroxypropyl)-1,2,4a-trimethyl-, [R-(R*,S*)]-
CAS Registry Number 104730-66-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O6
InChI InChI=1S/C20H22O6/c1-8(21)5-11-17(24)15-13(22)6-12-9(2)10(3)14(23)7-20(12,4)16(15)19(26)18(11)25/h6,8,21,24-26H,5,7H2,1-4H3/t8-,20+/m1/s1
InChIKey RHZKGSAKRGMZTK-SQFXPLBJSA-N
Molecular Weight 358.390 g/mol
SMILES Oc1c(c(c2C(C=C3[C@@](c2c1O)(CC(C(=C3C)C)=O)C)=O)O)C[C@](O)(C)[H]
SPLASH splash10-004i-0039000000-abd3e9a37931ac322593
Source of Spectrum H-69-980-3
Synonyms (16R)-Plectrinon A (4aS)-5,6,8-trihydroxy-7-[(2R)-2-hydroxypropyl]-1,2,4a-trimethyl-4,4a-dihydro-3,9-phenanthrenedione Plectrinon A (4aS)-5,6,8-trihydroxy-7-[(2R)-2-hydroxypropyl]-1,2,4a-trimethyl-4H-phenanthrene-3,9-dione (4aS)-1,2,4a-trimethyl-5,6,8-tris(oxidanyl)-7-[(2R)-2-oxidanylpropyl]-4H-phenanthrene-3,9-dione
Wiley ID 1347070