5-[(1R)-1-[(1S,4R,4aR,6R,8aS)-Decahydro-4-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde

CAS Registry Number®

179388-54-6

CAS Name

5-[(1R)-1-[(1S,4R,4aR,6R,8aS)-Decahydro-4-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde

Molecular Formula

C28H42O7

Molecular Mass

490.63

Cite this Page

5-[(1R)-1-[(1S,4R,4aR,6R,8aS)-Decahydro-4-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-1-naphthalenyl]-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/detail?cas_rn=179388-54-6 (retrieved 2025-01-11) (CAS RN: 179388-54-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H42O7/c1-15(2)11-17(22-24(32)18(13-29)23(31)19(14-30)25(22)33)20-8-10-28(6,35)21-12-16(26(3,4)34)7-9-27(20,21)5/h13-17,20-21,31-35H,7-12H2,1-6H3/t16-,17-,20+,21-,27+,28-/m1/s1

InChIKey

InChIKey=PXQFFMATXFLUPK-WFKARHRNSA-N

SMILES

[C@@H](CC(C)C)([C@]1([C@@]2(C)[C@@](C[C@H]([C@](C)(C)O)CC2)([C@](C)(O)CC1)[H])[H])C3=C(O)C(C=O)=C(O)C(C=O)=C3O

Canonical SMILES

O=CC=1C(O)=C(C=O)C(O)=C(C1O)C(CC(C)C)C2CCC(O)(C)C3CC(CCC23C)C(O)(C)C

Other Names for this Substance

  • 1,3-Benzenedicarboxaldehyde, 5-[(1R)-1-[(1S,4R,4aR,6R,8aS)-decahydro-4-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-
  • 1,3-Benzenedicarboxaldehyde, 5-[1-[decahydro-4-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-, [1S-[1α(S*),4β,4aβ,6α,8aα]]-
  • 5-[(1R)-1-[(1S,4R,4aR,6R,8aS)-Decahydro-4-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde
  • Macrocarpal I
  • 9′-epi-Macrocarpal J

Deleted or Replaced CAS Registry Numbers

194727-31-6

CAS INSIGHTSTM
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