5-[(1S)-1-[(1S,4aS,6R,8aS)-Decahydro-6-(1-hydroxy-1-methylethyl)-8a-methyl-4-methylene-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde
CAS Registry Number®
179388-53-5
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CAS Name
5-[(1S)-1-[(1S,4aS,6R,8aS)-Decahydro-6-(1-hydroxy-1-methylethyl)-8a-methyl-4-methylene-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehydeMolecular Formula
C28H40O6Molecular Mass
472.61Cite this Page
5-[(1S)-1-[(1S,4aS,6R,8aS)-Decahydro-6-(1-hydroxy-1-methylethyl)-8a-methyl-4-methylene-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=179388-53-5 (retrieved ) (CAS RN: 179388-53-5). 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/h13-15,17-18,21-22,31-34H,3,7-12H2,1-2,4-6H3/t17-,18+,21+,22+,28+/m1/s1
InChIKey
InChIKey=OOAOETHJYYAVCC-GNLPDQNGSA-N
SMILES
[C@H](CC(C)C)([C@]1([C@@]2(C)[C@@](C[C@H]([C@](C)(C)O)CC2)(C(=C)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(=C)C3CC(CCC32C)C(O)(C)C
Other Names for this Substance
- 1,3-Benzenedicarboxaldehyde, 5-[(1S)-1-[(1S,4aS,6R,8aS)-decahydro-6-(1-hydroxy-1-methylethyl)-8a-methyl-4-methylene-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-
- 1,3-Benzenedicarboxaldehyde, 5-[1-[decahydro-6-(1-hydroxy-1-methylethyl)-8a-methyl-4-methylene-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-, [1S-[1α(R*),4aβ,6α,8aα]]-
- 5-[(1S)-1-[(1S,4aS,6R,8aS)-Decahydro-6-(1-hydroxy-1-methylethyl)-8a-methyl-4-methylene-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde
- Macrocarpal H
Deleted or Replaced CAS Registry Numbers
194727-30-5
