Macrocarpal E

CAS Registry Number®

142628-54-4

CAS Name

Macrocarpal E

Molecular Formula

C28H40O6

Molecular Mass

472.61

Cite this Page

Macrocarpal E.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=142628-54-4 (retrieved 2024-11-05) (CAS RN: 142628-54-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H40O6/c1-15(2)11-18(23-25(32)19(13-29)24(31)20(14-30)26(23)33)21-8-7-16(3)22-12-17(27(4,5)34)9-10-28(21,22)6/h12-18,21,31-34H,7-11H2,1-6H3/t16-,17+,18-,21-,28-/m1/s1

InChIKey

InChIKey=XJNGQIYBMXBCRU-RHUSKIKKSA-N

SMILES

[C@@H](CC(C)C)([C@@]1([C@]2(C)C(=C[C@@H](C(C)(C)O)CC2)[C@H](C)CC1)[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(C3=CC(CCC32C)C(O)(C)C)C

Other Names for this Substance

  • 1,3-Benzenedicarboxaldehyde, 2,4,6-trihydroxy-5-[(1R)-3-methyl-1-[(1R,4R,6S,8aR)-1,2,3,4,6,7,8,8a-octahydro-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-1-naphthalenyl]butyl]-
  • 2,4,6-Trihydroxy-5-[(1R)-3-methyl-1-[(1R,4R,6S,8aR)-1,2,3,4,6,7,8,8a-octahydro-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-1-naphthalenyl]butyl]-1,3-benzenedicarboxaldehyde
  • Macrocarpal E
  • 9′-epi-Macrocarpal Q