4,8,12,22,24-Pentahydroxy-10-methoxy-1,12-dimethyl-23-(methylamino)-20,25-dioxahexacyclo[19.3.1.0^2,19.0^5,18.0^7,16.0^9,14]pentacosa-2,4,7(16),8,14,18-hexaene-6,17-dione
[CAS# 86016-61-7]

Identification

• Name: 4,8,12,22,24-Pentahydroxy-10-methoxy-1,12-dimethyl-23-(methylamino)-20,25-dioxahexacyclo[19.3.1.0^2,19.0^5,18.0^7,16.0^9,14]pentacosa-2,4,7(16),8,14,18-hexaene-6,17-dione
• Synonyms: (2R,3S,4S,5R,6S,11R,13S)-3,5,8,10,13-PENTAHYDROXY-11-METHOXY-6,13-DIMETHYL-4-(METHYLAMINO)-3,4,5,6,11,12,13,14-OCTAHYDRO-2H-2,6-EPOXYTETRACENO[1,2-B]OXOCINE-9,16-DIONE; 4,8,12,22,24-pentahydroxy-10-methoxy-1,12-dimethyl-23-methylamino-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2(19),3,5(18),7(16),8,14-hexaene-6,17-dione; 7-Con-O-methyl-N-demethylnogarol
• Molecular Formula: C₂₇H₂₉NO₁₀
• Molecular Weight: 527.52
• CAS Registry Number: 86016-61-7
• SMILES: CC1(CC(C2=C(C3=C(C=C2C1)C(=O)C4=C5C(=CC(=C4C3=O)O)C6(C(C(C(C(O5)O6)O)NC)O)C)O)OC)O
• InChI: 1S/C27H29NO10/c1-26(35)7-9-5-10-15(20(31)14(9)13(8-26)36-4)21(32)16-12(29)6-11-23(17(16)19(10)30)37-25-22(33)18(28-3)24(34)27(11,2)38-25/h5-6,13,18,22,24-25,28-29,31,33-35H,7-8H2,1-4H3
• InChIKey: PPUCUNKHOFYRLN-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 809.0±65.0°C at 760 mmHg (Cal.)
• Flash point: 443.1±34.3°C (Cal.)