(3R,11aS)-2,3,3ab,4,5,5a,5ba,6,6a,7,8,9,9ab,10-Tetradecahydro-3b,5aa,6aa-Trimethyl-9b-Isopropyl-1H-Pentaleno[1,6a-a]-S-Indacene-11-Carboxylic Acid
[CAS# 40184-98-3]

Identification

• Name: (3R,11aS)-2,3,3ab,4,5,5a,5ba,6,6a,7,8,9,9ab,10-Tetradecahydro-3b,5aa,6aa-Trimethyl-9b-Isopropyl-1H-Pentaleno[1,6a-a]-S-Indacene-11-Carboxylic Acid
• Molecular Formula: C₂₅H₃₈O₂
• Molecular Weight: 370.57
• CAS Registry Number: 40184-98-3
• SMILES: [C@@]13(C2([C@@H](CC1)[C@@H](CC2)C)C(=C4[C@@H]3C[C@@]5([C@@H](C4)[C@@H](CC5)C(C)C)C)C(=O)O)C
• InChI: 1S/C25H38O2/c1-14(2)16-7-9-23(4)13-20-17(12-19(16)23)21(22(26)27)25-11-6-15(3)18(25)8-10-24(20,25)5/h14-16,18-20H,6-13H2,1-5H3,(H,26,27)/t15-,16+,18+,19+,20+,23-,24+,25?/m1/s1
• InChIKey: GTPDAZPJWLNUDK-UZQQHGMGSA-N

Properties

• Density: 1.1g/cm³ (Cal.)
• Boiling point: 484.743°C at 760 mmHg (Cal.)
• Flash point: 229.807°C (Cal.)