(1aS-(1a-alpha,2-beta,3-alpha,13C-alpha))-1a,2,3,13C-Tetrahydro-Benz[c]Oxireno[5,6]Benz[1,2-h]Acridine-2,3-Diol
[CAS# 93780-95-1]

Identification

• Name: (1aS-(1a-alpha,2-beta,3-alpha,13C-alpha))-1a,2,3,13C-Tetrahydro-Benz[c]Oxireno[5,6]Benz[1,2-h]Acridine-2,3-Diol
• Synonyms: Benz(C)Oxireno(5,6)Benz(1,2-H)Acridine-2,3-Diol, 1A,2,3,13C-Tetrahydro-, (1As-(1A-Alpha,2-Beta,3-Alpha,13C-Alpha))-; Ccris 2353; (1R,2S,3S,4R)-3,4-Dihydroxy-1,2-Epoxy-1,2,3,4-Tetrahydrobenz(C,H)Acridine
• Molecular Formula: C₂₁H₁₅NO₃
• Molecular Weight: 329.35
• CAS Registry Number: 93780-95-1
• SMILES: [C@@H]56C2=C(C=CC3=CC1=CC=C4C(=C1N=C23)C=CC=C4)[C@H]([C@@H]([C@@H]5O6)O)O
• InChI: 1S/C21H15NO3/c23-18-14-8-7-12-9-11-6-5-10-3-1-2-4-13(10)16(11)22-17(12)15(14)20-21(25-20)19(18)24/h1-9,18-21,23-24H/t18-,19+,20-,21+/m1/s1
• InChIKey: BXJBQIRUMHGZCB-MHTWAQMVSA-N

Properties

• Density: 1.528g/cm³ (Cal.)
• Boiling point: 657.661°C at 760 mmHg (Cal.)
• Flash point: 351.541°C (Cal.)