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Basic Information
CAS No.: 38971-41-4
Name: ophiopogonin B
Molecular Structure:
Molecular Structure of 38971-41-4 (ophiopogonin B)
Formula: C39H62 O12
Molecular Weight: 722.914
Synonyms: (-)-OphiopogoninB; OJV-III; Ophiopogonin B; Prosapogenin D3
Density: 1.34±0.1 g/cm3(Predicted)
Boiling Point: 835.7±65.0 °C(Predicted)
PSA: 176.76000
LogP: 2.38830
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Chemistry

Molecule structure of Ophiopogonin B (CAS NO.38971-41-4):

Molecular Weight: 722.90238 [g/mol]
Molecular Formula: C39H62O12 
Index of Refraction: 1.604
Molar Refractivity: 185.24 cm3
Molar Volume: 538.4 cm3
Surface Tension: 62.6 dyne/cm
Density: 1.34 g/cm3
Flash Point: 459.2 °C
Enthalpy of Vaporization: 138.15 kJ/mol
Boiling Point: 835.7 °C at 760 mmHg
Vapour Pressure: 2E-32 mmHg at 25 °C
XLogP3-AA: 2.5
H-Bond Donor: 6
H-Bond Acceptor: 12
Rotatable Bond Count: 4
Exact Mass: 722.424127
MonoIsotopic Mass: 722.424127
Topological Polar Surface Area: 177
Heavy Atom Count: 51 
Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)O)OC7C(C(C(C(O7)C)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)C)OC1
Isomeric SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)CC4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5([C@@H](C[C@@H](C6)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C)O)O)O[C@H]8
[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)C)OC1
InChIKey of Ophiopogonin B (CAS NO.38971-41-4): OWGURJWJHWYCIQ-ALQLZCPRSA-N

Specification

 Ophiopogonin B (CAS NO.38971-41-4) is also named as beta-D-Galactopyranoside, (1beta,3beta,25R)-3-hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)- ; [(25R)-3β-Hydroxyspirost-5-en-1β-yl]6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-galactopyranoside .