(5S)-3-[(E)-{(1R,7aR)-1-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-7a-methyloctahydro-4H-inden-4-ylidene}methyl]-1,3,4,5,6,7-hexahydro-2-benzothiophene-5-ol 2,2-dioxide
[CAS# 87407-73-6]

Identification

• Name: (5S)-3-[(E)-{(1R,7aR)-1-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-7a-methyloctahydro-4H-inden-4-ylidene}methyl]-1,3,4,5,6,7-hexahydro-2-benzothiophene-5-ol 2,2-dioxide
• Synonyms: (6S)-1-{[(1R,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]methyl}-6-hydroxy-1,3,4,5,6,7-hexahydro-2λ6-benzothiophene-2,2-dione; 3-[7R-Methyl-1R-(1R,4R,5-trimethyl-hex-2-enyl)-octahydro-inden-; 4-ylidenemethyl]-2,2-dioxo-2,3,4,5,6,7-hexahydro-1H-; 2l6-benzo[c]thiophen-5S-ol; 3-[7R-Methyl-1R-(1R,4R,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ylidenemethyl]- 2,2-dioxo-2,3,4,5,6,7-hexahydro-1H-2l6-benzo[c]thiophen-5S-ol
• Molecular Formula: C₂₈H₄₄O₃S
• Molecular Weight: 460.71
• CAS Registry Number: 87407-73-6
• SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C3C4=C(CC[C@@H](C4)O)CS3(=O)=O)C
• InChI: 1S/C28H44O3S/c1-18(2)19(3)8-9-20(4)25-12-13-26-21(7-6-14-28(25,26)5)15-27-24-16-23(29)11-10-22(24)17-32(27,30)31/h8-9,15,18-20,23,25-27,29H,6-7,10-14,16-17H2,1-5H3/b9-8+,21-15+/t19-,20+,23-,25+,26?,27?,28+/m0/s1
• InChIKey: LYTLCKCMCADGOA-IVXTXDNUSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 606.2±55.0°C at 760 mmHg (Cal.)
• Flash point: 320.4±31.5°C (Cal.)