Macrocarpal B

CAS Registry Number®

142698-60-0
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CAS Name

Macrocarpal B

Molecular Formula

C28H40O6

Molecular Mass

472.61

Cite this Page

Macrocarpal B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=142698-60-0 (retrieved 2024-05-05) (CAS RN: 142698-60-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H40O6/c1-14(2)11-19(20-24(32)15(12-29)23(31)16(13-30)25(20)33)27(5)9-7-18-22(27)21-17(26(21,3)4)8-10-28(18,6)34/h12-14,17-19,21-22,31-34H,7-11H2,1-6H3/t17-,18-,19-,21-,22-,27-,28-/m1/s1

InChIKey

InChIKey=IBLPTYJTKWQCDX-NGLILROZSA-N

SMILES

[C@H](CC(C)C)([C@]1(C)[C@]2([C@]3([C@](C3(C)C)(CC[C@@](C)(O)[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)CCC3C2C4C(CCC3(O)C)C4(C)C

Other Names for this Substance

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

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