(2S-(2alpha,3beta,3abeta,6aalpha,7aalpha,10beta,10abeta,11abeta))-1,2,3,3a,4,6a,7,7a,8,9,10,10a,11,11a-Tetradecahydro-10-(1-Methylethyl)-3,7a,12-Trimethyl-2-(beta-D-Xylopyranosyloxy)-Cyclopenta(4,5)Cyclooct(1,2-f)Indene-6-Carboxaldehyde
[CAS# 122535-46-0]

Identification

• Name: (2S-(2alpha,3beta,3abeta,6aalpha,7aalpha,10beta,10abeta,11abeta))-1,2,3,3a,4,6a,7,7a,8,9,10,10a,11,11a-Tetradecahydro-10-(1-Methylethyl)-3,7a,12-Trimethyl-2-(beta-D-Xylopyranosyloxy)-Cyclopenta(4,5)Cyclooct(1,2-f)Indene-6-Carboxaldehyde
• Molecular Formula: C₃₀H₄₆O₆
• Molecular Weight: 502.69
• CAS Registry Number: 122535-46-0
• SMILES: [C@@H]1\3[C@H](C[C@@]2([C@@H](C1)[C@@H](CC2)C(C)C)C)\C(=C/C[C@@H]5\C(=C3C)C[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]5C)C=O
• InChI: 1S/C30H46O6/c1-15(2)19-8-9-30(5)12-23-18(13-31)6-7-20-17(4)26(11-22(20)16(3)21(23)10-24(19)30)36-29-28(34)27(33)25(32)14-35-29/h6,13,15,17,19-21,23-29,32-34H,7-12,14H2,1-5H3/b18-6-,22-16-/t17-,19-,20-,21+,23+,24-,25+,26-,27-,28+,29-,30+/m0/s1
• InChIKey: PGDQFMJGCJTDBU-XKRAMSRFSA-N

Properties

• Density: 1.197g/cm³ (Cal.)
• Boiling point: 642.508°C at 760 mmHg (Cal.)
• Flash point: 204.043°C (Cal.)