Macrocarpal C

CAS Registry Number®

142628-53-3
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CAS Name

Macrocarpal C

Molecular Formula

C28H38O5

Molecular Mass

454.60

Cite this Page

Macrocarpal C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=142628-53-3 (retrieved 2024-05-02) (CAS RN: 142628-53-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H38O5/c1-14(2)11-20(21-25(32)17(12-29)24(31)18(13-30)26(21)33)28(6)10-9-16-15(3)7-8-19-23(22(16)28)27(19,4)5/h12-14,16,19-20,22-23,31-33H,3,7-11H2,1-2,4-6H3/t16-,19+,20-,22+,23+,28+/m0/s1

InChIKey

InChIKey=IEWHEHWXBLPFER-HUCVFKCKSA-N

SMILES

[C@@H](CC(C)C)([C@]1(C)[C@]2([C@]3([C@](C3(C)C)(CCC(=C)[C@@]2(CC1)[H])[H])[H])[H])C4=C(O)C(C=O)=C(O)C(C=O)=C4O

Canonical SMILES

O=CC=1C(O)=C(C=O)C(O)=C(C1O)C(CC(C)C)C2(C)CCC3C(=C)CCC4C(C32)C4(C)C

Other Names for this Substance

  • 1,3-Benzenedicarboxaldehyde, 5-[(1R)-1-[(1aR,4aR,7S,7aR,7bR)-decahydro-1,1,7-trimethyl-4-methylene-1H-cycloprop[e]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxy-
  • 1,3-Benzenedicarboxaldehyde, 5-[1-(decahydro-1,1,7-trimethyl-4-methylene-1H-cycloprop[e]azulen-7-yl)-3-methylbutyl]-2,4,6-trihydroxy-, [1aR-[1aα,4aα,7β(R*),7aβ,7bα]]-
  • 1H-Cycloprop[e]azulene, 1,4-benzenedicarboxaldehyde deriv.
  • 5-[(1R)-1-[(1aR,4aR,7S,7aR,7bR)-Decahydro-1,1,7-trimethyl-4-methylene-1H-cycloprop[e]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde
  • Macrocarpal C

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Deleted or Replaced CAS Registry Numbers

145416-92-8

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