[(1S,7aα)-1α-(β-D-Glucopyranosyloxy)-5,7a-dihydro-5α-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-4aα(1H)-yl]2-O-β-D-glucopyranosyl-β-D-glucopyranoside

Molecular structure of Rehmannioside D (CAS NO.81720-08-3) is:

Product Name: Rehmannioside D
CAS Registry Number: 81720-08-3
Systematic Name: (1S,4aS,5R,7aR)-1-(beta-D-glucopyranosyloxy)-5-hydroxy-7-(hydroxymethyl)-5,7a-dihydrocyclopenta[c]pyran-4a(1H)-yl 2-O-beta-D-glucopyranosyl-alpha-D-glucopyranoside
Molecular Formula: C₂₇H₄₂O₂₀
Molecular Weight: 686.61
Index of Refraction: 1.706
Molar Refractivity: 148.2 cm³
Molar Volume: 380.5 cm³
Surface Tension: 119.7 dyne/cm
Density: 1.8 g/cm³
Flash Point: 590.3 °C
Enthalpy of Vaporization: 174.36 kJ/mol
Boiling Point: 1052.4 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C 
SMILES: O([C@]23/C=C\O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]3C(=C/[C@H]2O)\CO)[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CO 
InChI: InChI=1/C27H42O20/c28-4-8-3-12(32)27(1-2-41-23(13(8)27)46-25-21(40)18(37)15(34)10(6-30)43-25)47-26-22(19(38)16(35)11(7-31)44-26)45-24-20(39)17(36)14(33)9(5-29)42-24/h1-3,9-26,28-40H,4-7H2/t9-,10-,11-,12-,13+,14-,15-,16-,17+,18+,19+,20-,21-,22-,23+,24+,25+,26-,27-/m1/s1
InChIKey: JQEFRKPLHFKTFL-SPEIAMBYBQ
Std. InChI: InChI=1S/C27H42O20/c28-4-8-3-12(32)27(1-2-41-23(13(8)27)46-25-21(40)18(37)15(34)10(6-30)43-25)47-26-22(19(38)16(35)11(7-31)44-26)45-24-20(39)17(36)14(33)9(5-29)42-24/h1-3,9-26,28-40H,4-7H2/t9-,10-,11-,12-,13+,14-,15-,16-,17+,18+,19+,20-,21-,22-,23+,24+,25+,26-,27-/m1/s1
Std. InChIKey: JQEFRKPLHFKTFL-SPEIAMBYSA-N