(Z,6R)-6-[(3R,3aR,6S,7S,9bR)-6-(3-Methoxy-3-oxo-propyl)-3a,9b-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,9-octahydro-1H-cyclopenta[h]naphthalen-3-yl]-2-methyl-hept-2-enoic acid
[CAS# 116963-87-2]

Identification

• Name: (Z,6R)-6-[(3R,3aR,6S,7S,9bR)-6-(3-Methoxy-3-oxo-propyl)-3a,9b-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,9-octahydro-1H-cyclopenta[h]naphthalen-3-yl]-2-methyl-hept-2-enoic acid
• Synonyms: (Z,6R)-6-[(3R,3Ar,6S,7S,9Br)-7-Isopropenyl-6-(3-Methoxy-3-Oxo-Propyl)-3A,9B-Dimethyl-2,3,4,5,6,7,8,9-Octahydro-1H-Cyclopenta[H]Naphthalen-3-Yl]-2-Methyl-Hept-2-Enoic Acid; (Z,6R)-6-[(3R,3Ar,6S,7S,9Br)-7-Isopropenyl-6-(3-Methoxy-3-Oxopropyl)-3A,9B-Dimethyl-2,3,4,5,6,7,8,9-Octahydro-1H-Cyclopenta[H]Naphthalen-3-Yl]-2-Methylhept-2-Enoic Acid; (Z,6R)-6-[(3R,3Ar,6S,7S,9Br)-7-Isopropenyl-6-(3-Keto-3-Methoxy-Propyl)-3A,9B-Dimethyl-2,3,4,5,6,7,8,9-Octahydro-1H-Cyclopenta[H]Naphthalen-3-Yl]-2-Methyl-Hept-2-Enoic Acid
• Molecular Formula: C₃₀H₄₆O₄
• Molecular Weight: 470.69
• CAS Registry Number: 116963-87-2
• SMILES: [C@]13([C@](C2=C(CC1)[C@H]([C@H](CC2)C(=C)C)CCC(OC)=O)(CC[C@@H]3[C@@H](CC\C=C(C(=O)O)\C)C)C)C
• InChI: 1S/C30H46O4/c1-19(2)22-11-13-26-24(23(22)12-14-27(31)34-7)15-17-29(5)25(16-18-30(26,29)6)20(3)9-8-10-21(4)28(32)33/h10,20,22-23,25H,1,8-9,11-18H2,2-7H3,(H,32,33)/b21-10-/t20-,22-,23+,25-,29-,30+/m1/s1
• InChIKey: UPSFXEHDOPIMAJ-ISZOBLOUSA-N

Properties

• Density: 1.059g/cm³ (Cal.)
• Boiling point: 569.945°C at 760 mmHg (Cal.)
• Flash point: 175.363°C (Cal.)