CAS Registry Number®
55481-88-4
CAS Name
Mollugin
Molecular Formula
C17H16O4
Molecular Mass
284.31
Compound Properties
-
Melting Point (1)
129.5-131 °C
Source(s)
- (1) Claessens, Sven; Tetrahedron, (2006), 62(35), 8419-8424, CAplus
Other Names and Identifiers
InChI
InChI=1S/C17H16O4/c1-17(2)9-8-12-13(16(19)20-3)14(18)10-6-4-5-7-11(10)15(12)21-17/h4-9,18H,1-3H3
InChIKey
InChIKey=VLGATXOTCNBWIT-UHFFFAOYSA-N
SMILES
C(OC)(=O)C1=C2C(=C3C(=C1O)C=CC=C3)OC(C)(C)C=C2
Canonical SMILES
O=C(OC)C=1C(O)=C2C=CC=CC2=C3OC(C=CC31)(C)C
Other Names for this Substance
- 2H-Naphtho[1,2-b]pyran-5-carboxylic acid, 6-hydroxy-2,2-dimethyl-, methyl ester
- Mollugin
- Rubimaillin
- SMB 00431
