(1aS-(1aalpha,3beta,3abeta,3aalpha,6aalpha,7beta,7aS*))-Tetrahydro-7-Hydroxy-3a,5,5-Trimethyl-Spiro(Cyclopenta(4,5)Pentaleno(1,6a-b)Oxirene-3(3aH),2'-Oxirane)-2,4(1aH,3bH)-Dione
[CAS# 74399-38-5]

Identification

• Name: (1aS-(1aalpha,3beta,3abeta,3aalpha,6aalpha,7beta,7aS*))-Tetrahydro-7-Hydroxy-3a,5,5-Trimethyl-Spiro(Cyclopenta(4,5)Pentaleno(1,6a-b)Oxirene-3(3aH),2'-Oxirane)-2,4(1aH,3bH)-Dione
• Synonyms: 1-Deoxy-1-Ketocoriolin
• Molecular Formula: C₁₅H₁₈O₅
• Molecular Weight: 278.30
• CAS Registry Number: 74399-38-5
• SMILES: CC1(C(C2C(C1)C(C45C2(C3(OC3)C(C4O5)=O)C)O)=O)C
• InChI: 1S/C15H18O5/c1-12(2)4-6-7(9(12)17)13(3)14(5-19-14)10(18)11-15(13,20-11)8(6)16/h6-8,11,16H,4-5H2,1-3H3
• InChIKey: NHEJSSWUXKQMQR-UHFFFAOYSA-N

Properties

• Density: 1.465g/cm³ (Cal.)
• Boiling point: 480.146°C at 760 mmHg (Cal.)
• Flash point: 184.839°C (Cal.)