(1beta,3beta,25S)-3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]spirost-5-en-1-yl 6-deoxy-beta-D-galactopyranoside

Basic Information

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CAS Number

87425-34-1

Molecular Formula

C39H62O12

Molecular Weight

722.91 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Boiling Point

823.3±65.0℃ at 760 mmHg

Density

1.34±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (2.1E-3 g/L) (25 ºC),

SMILES

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C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5([C@@H](C[C@@H](C6)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)C)O)O)O)C)C)C)OC1

InChI

InChI=1S/C39H62O12/c1-17-9-12-39(46-16-17)18(2)28-26(51-39)15-25-23-8-7-21-13-22(49-35-33(44)31(42)29(40)19(3)47-35)14-27(38(21,6)24(23)10-11-37(25,28)5)50-36-34(45)32(43)30(41)20(4)48-36/h7,17-20,22-36,40-45H,8-16H2,1-6H3/t17-,18-,19-,20+,22+,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36-,37-,38-,39+/m0/s1

InChIKey

RMIQIULKBBCLIL-KJXSMTROSA-N

LogP

2.388300000000001

Topological Polar Surface Area

176.76 Å²

Hydrogen Bond Donor/Acceptor

6 / 12

Complexity

1330

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

Spicatoside B
Liriope platyphylla glycoside B
Liriope spicata saponin LS-2
LP-B
Liriopeside B
LIRIOPESIDES B
Nolinospiroside F
Spirostan, β-D-galactopyranoside deriv.
(1β,3β,25S)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]spirost-5-en-1-yl 6-deoxy-β-D-galactopyranoside
(1beta,3beta,25S)-3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]spirost-5-en-1-yl 6-deoxy-beta-D-galactopyranoside
(2S,3R,4R,5R,6R)-2-Methyl-6-[(1S,2S,4S,5'S,6R,7R,8R,9S,12S,13R,14R,16R)-5',7,9,13-tetramethyl-14-[(2
Liriopesides B
(1β,3β,25S)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]spirost-5-en-1-yl 6-deoxy-β-D-galactopyranoside (ACI)
Spirostan, β-D-galactopyranoside deriv. (ZCI)
Liriopeside b
Spicatoside B,Liriope platyphylla glycoside B,Liriope spicata saponinLS-2,Spirostan, β-Dgalactopyran...