Cassane diterpenoids with α-glucosidase inhibitory activity from the fruits of Pterolobium macropterum

Sarot Cheenpracha, Ratchanaporn Chokchaisiri, Lucksagoon Ganranoo, Sareeya Bureekaew, Thunwadee Limtharakul and Surat Laphookhieo

Beilstein J. Org. Chem. 2023, 19, 658–665. https://doi.org/10.3762/bjoc.19.47

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Figure 1

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₂₀H₂₈O₃
Molecular Weight	316.44 g/mol
Exact Mass	316.2039 Da
InChI	InChI=1S/C20H28O3/c1-18(2)8-5-9-19(3)13-10-15-14(11-17(21)23-15)20(4,22)12(13)6-7-16(18)19/h10-13,16,22H,5-9H2,1-4H3/t12-,13+,16+,19-,20+/m1/s1
InChIKey	DROYCWATYHIUMJ-CYWCIJTPSA-N
SMILES	CC1(C)CCC[C@]2(C)[C@@]3([H])C=C4C(=CC(=O)O4)[C@](C)([C@]3([H])CC[C@@]12[H])O
Number of Atoms	51
Number of H-Bond Acceptors	3
Number of H-Bond Donors	1
Atoms in the Largest π-System	7
XLogP	5.5

Operator	Resulting query
aromatic	the word “aromatic”
aromatic aldehyde	the word “aromatic” OR “aldehyde”
+aromatic +aldehyde	both words “aromatic” AND “aldehyde”
+aromatic -aldehyde	the word “aromatic” but NOT “aldehyde”
“aromatic aldehyde”	the exact phrase “aromatic aldehyde”
benz*	words which begin with “benz”, such as “benzene” or “benzyl”
benz*yl	words that begin with “benz” and end with “yl”, such as “benzyl” or “benzoyl”
benzyl~	words that are close to the word “benzyl”, such as “benzoyl” (i.e., fuzzy search)