5-[(1S)-1-[(1R)-2-[(1R,3R)-2,2-Dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde

CAS Registry Number®

172617-99-1
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CAS Name

5-[(1S)-1-[(1R)-2-[(1R,3R)-2,2-Dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde

Molecular Formula

C28H38O7

Molecular Mass

486.60

Cite this Page

5-[(1S)-1-[(1R)-2-[(1R,3R)-2,2-Dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=172617-99-1 (retrieved 2024-04-27) (CAS RN: 172617-99-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H38O7/c1-14(2)11-19(21-25(34)16(12-29)24(33)17(13-30)26(21)35)28(6)10-9-20(32)23(28)22-18(27(22,4)5)8-7-15(3)31/h12-14,18-19,22-23,33-35H,7-11H2,1-6H3/t18-,19-,22-,23?,28-/m1/s1

InChIKey

InChIKey=KGPNGYABEKLGJP-VOUKFXJASA-N

SMILES

C(CC(C)=O)[C@@H]1[C@@H](C1(C)C)[C@]2([C@]([C@H](CC(C)C)C3=C(O)C(C=O)=C(O)C(C=O)=C3O)(C)CCC2=O)[H]

Canonical SMILES

O=CC=1C(O)=C(C=O)C(O)=C(C1O)C(CC(C)C)C2(C)CCC(=O)C2C3C(CCC(=O)C)C3(C)C

Other Names for this Substance

  • 1,3-Benzenedicarboxaldehyde, 5-[(1S)-1-[(1R)-2-[(1R,3R)-2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxy-
  • 5-[(1S)-1-[(1R)-2-[(1R,3R)-2,2-Dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde
  • Macrocarpal AM 1
  • Macrocarpal N
  • (+)-Macrocarpal N

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