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3(4bH)-Phenanthrenone, 7-(acetyloxy)-5,6,7,8-tetrahydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-4b,8,8-trimethyl-, (4bS-cis)-

View entire compound with spectra: 1 MS (GC)

3(4bH)-Phenanthrenone, 7-(acetyloxy)-5,6,7,8-tetrahydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-4b,8,8-trimethyl-, (4bS-cis)-
SpectraBase Compound ID 3OFgmDwNMgf
InChI InChI=1S/C22H28O5/c1-12(23)27-16-9-10-22(6)15(20(16,2)3)8-7-13-11-14(21(4,5)26)18(24)19(25)17(13)22/h7-8,11,16,25-26H,9-10H2,1-6H3/t16-,22-/m0/s1
InChIKey FSEFUWQUKRIMQB-AOMKIAJQSA-N
Mol Weight 372.46 g/mol
Molecular Formula C22H28O5
Exact Mass 372.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5XzvNZfGFP
Name 3(4bH)-Phenanthrenone, 7-(acetyloxy)-5,6,7,8-tetrahydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-4b,8,8-trimethyl-, (4bS-cis)-
Alternate Name(s) (3beta)-11,15-dihydroxy-12-oxoabieta-5,7,9(11),13-tetraen-3-yl acetate 3.beta.-acetoxy-11,15-dihydroxy-5,7,9, (11),13-abietatetraen-12-one
CAS Registry Number 65714-87-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O5
InChI InChI=1S/C22H28O5/c1-12(23)27-16-9-10-22(6)15(20(16,2)3)8-7-13-11-14(21(4,5)26)18(24)19(25)17(13)22/h7-8,11,16,25-26H,9-10H2,1-6H3/t16-,22-/m0/s1
InChIKey FSEFUWQUKRIMQB-AOMKIAJQSA-N
Molecular Weight 372.461 g/mol
SMILES OC(C1=CC2=CC=C3[C@@](C2=C(C1=O)O)(CC[C@@](C3(C)C)(OC(=O)C)[H])C)(C)C
SPLASH splash10-01tc-1093000000-9a2d0dd5ebc1d629e3a2
Source of Spectrum H-60-2797-0
Wiley ID 1355579