Structure via PubChem · Public domain (PubChem)
castalin
Sign in to saveAlso known as 12H-8,17,21-(Epoxyethanylylidyne)-4,7-methano-5H-dibenzo[h,o][1,6]dioxacycloheptadecin, neovescalin deriv., Neovescalin, intramol. 25,17-ester, (15β)-, 12H-8,17,21-(Epoxyethanylylidyne)-4,7-methano-5H-dibenzo[h,o][1,6]dioxacycloheptadecin-5,12,23-trione, 7,8,9,10-tetrahydro-1,2,3,9,14,15,16,18,19,20,25-undecahydroxy-10-(hydroxymethyl)-
Castalin is an ellagitannin. It can be found in oak wood and in Melaleuca quinquenervia leaves.
Chemical data
- Formula
- C27H20O18
- Molecular weight
- 632.4 g/mol
- IUPAC name
- 7,8,9,12,13,14,17,18,19,25,29-undecahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.12,6.05,10.011,28.016,21]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaene-4,22,27-trione
- SMILES
- C1=C2C(=C(C(=C1O)O)O)C3=C4C(=C(C(=C3O)O)O)C5=C6C(=C(C(=C5O)O)O)C(C(C(C(C(OC2=O)CO)O)OC4=O)OC6=O)O
- InChIKey
- PPUHUWSVCUJGTD-UHFFFAOYSA-N
- XLogP
- -0.5
- Polar surface area
- 322 Ų
- H-bond donors
- 12
- H-bond acceptors
- 18
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 632.064964
Show 3 more facts
- canonical SMILES
- C1=C2C(=C(C(=C1O)O)O)C3=C4C(=C(C(=C3O)O)O)C5=C6C(=C(C(=C5O)O)O)C(C(C(C(C(OC2=O)CO)O)OC4=O)OC6=O)O
- chemical formula
- C₂₇H₂₀O₁₈
- found in taxon
- Terminalia phillyreifolia
Sources (1)
via Wikidata · CC0
~1 min read
Encyclopedic overview
1 sectionsContents
- References
Castalin is an ellagitannin. It can be found in oak wood and in Melaleuca quinquenervia leaves.
== References ==
Excerpted from Wikipedia’s “castalin” article, available under the CC BY-SA 4.0 licence.