(2Z)-6-Methyl-2-[(4S,8S,9R,10S,13R,14R,16S)-4,10,14-Trimethyl-3,11-Dioxo-16-Propanoyloxy-1,2,4,5,6,7,8,9,12,13,15,16-Dodecahydrocyclopenta[a]Phenanthren-17-Ylidene]Hept-5-Enoic Acid
[CAS# 3482-38-0]

Identification

• Name: (2Z)-6-Methyl-2-[(4S,8S,9R,10S,13R,14R,16S)-4,10,14-Trimethyl-3,11-Dioxo-16-Propanoyloxy-1,2,4,5,6,7,8,9,12,13,15,16-Dodecahydrocyclopenta[a]Phenanthren-17-Ylidene]Hept-5-Enoic Acid
• Synonyms: (2Z)-6-Methyl-2-[(4S,8S,9R,10S,13R,14R,16S)-4,10,14-Trimethyl-3,11-Dioxo-16-(1-Oxopropoxy)-1,2,4,5,6,7,8,9,12,13,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Ylidene]Hept-5-Enoic Acid; (2Z)-2-[(4S,8S,9R,10S,13R,14R,16S)-3,11-Diketo-4,10,14-Trimethyl-16-Propionyloxy-1,2,4,5,6,7,8,9,12,13,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Ylidene]-6-Methyl-Hept-5-Enoic Acid; 29-Nordammara-17(20),24-Dien-21-Oic Acid, 16-(Acetyloxy)-3,11-Dioxo-, (4Alpha,8Alpha,9Beta,13Alpha,14Beta,16Beta,17Z)-
• Molecular Formula: C₃₁H₄₄O₆
• Molecular Weight: 512.69
• CAS Registry Number: 3482-38-0
• SMILES: [C@@H]23[C@@]1([C@H](\C([C@@H](OC(=O)CC)C1)=C(C(=O)O)/CCC=C(C)C)CC(=O)[C@H]2[C@@]4(C(CC3)[C@@H](C(=O)CC4)C)C)C
• InChI: 1S/C31H44O6/c1-7-26(34)37-25-16-31(6)21-12-11-20-18(4)23(32)13-14-30(20,5)28(21)24(33)15-22(31)27(25)19(29(35)36)10-8-9-17(2)3/h9,18,20-22,25,28H,7-8,10-16H2,1-6H3,(H,35,36)/b27-19-/t18-,20?,21-,22-,25-,28-,30-,31+/m0/s1
• InChIKey: NLRZOLNLGXHZPV-FIPZVDMCSA-N

Properties

• Density: 1.161g/cm³ (Cal.)
• Boiling point: 643.736°C at 760 mmHg (Cal.)
• Flash point: 202.329°C (Cal.)