103962-10-3 Purity
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Specification
The PubChem CID for NSC-302036 is 99980.
The molecular formula of NSC-302036 is C28H32O7.
The synonyms for NSC-302036 are ANTHOTHECOL and 10410-83-0.
The molecular weight of NSC-302036 is 480.5 g/mol.
NSC-302036 was created in PubChem on March 26, 2005.
NSC-302036 was last modified in PubChem on December 30, 2023.
The IUPAC name of NSC-302036 is [6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-14,18-dioxo-3-oxapentacyclo[8.8.0.0 2,4 .0 2,7 .0 11,16 ]octadeca-12,16-dien-9-yl] acetate.
The InChI of NSC-302036 is InChI=1S/C28H32O7/c1-14(29)34-17-12-26(5)16(15-8-10-33-13-15)11-19-28(26,35-19)27(6)21(17)25(4)9-7-18(30)24(2,3)22(25)20(31)23(27)32/h7-10,13,16-17,19,21,31H,11-12H2,1-6H3.
The InChIKey of NSC-302036 is AJTULIWKBMDPCJ-UHFFFAOYSA-N.
The canonical SMILES of NSC-302036 is CC(=O)OC1CC2(C(CC3C2(O3)C4(C1C5(C=CC(=O)C(C5=C(C4=O)O)(C)C)C)C)C6=COC=C6)C.