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Lirioprolioside B

CAT: 0804-HY-N1432-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N1432-01Size:1 mg
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Description
Lirioprolioside B is a steroidal glycoside that can be isolated from the underground organs of Liriope spicata var. prolifera[1].
CAS Number
182284-68-0
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/lirioprolioside-b.html
Purity
98.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O[C@@H]([C@H]([C@@H](C)O1)O)[C@@H](O[C@H]2[C@@H]([C@@H]([C@H]([C@H](C)O2)O)OC(C)=O)O)[C@@H]1O[C@@H]3C[C@H](O)CC4=CC[C@@]5([H])[C@]6([H])C[C@@]7(O[C@@]8(OC[C@@H](C)CC8)[C@@H](C)[C@@]7([C@]6(CC[C@]5([H])[C@@]34C)C)[H])[H]
Molecular Formula
C41H64O13
Molecular Weight
764.94
References & Citations
[1]Yu BY, et al. Steroidal glycosides from the subterranean parts of Liriope spicata var. prolifera. Phytochemistry. 1996 Sep;43 (1) :201-6.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Lirioprolioside B

Lirioprolioside B has been reported in Liriope spicata with data available.

CAS Number182284-68-0
PubChem CID91973810
IUPAC Name[(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate
Molecular FormulaC41H64O13
Molecular Weight764.9
XLogP3.1
Topological Polar Surface Area183
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Heavy Atom Count54
Formal Charge0
Complexity1440
SMILES
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)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)OC(=O)C)O)C)C)C)OC1
InChI
InChI=1S/C41H64O13/c1-18-10-13-41(48-17-18)19(2)30-28(54-41)16-27-25-9-8-23-14-24(43)15-29(40(23,7)26(25)11-12-39(27,30)6)52-38-36(33(46)31(44)20(3)50-38)53-37-34(47)35(51-22(5)42)32(45)21(4)49-37/h8,18-21,24-38,43-47H,9-17H2,1-7H3/t18-,19-,20+,21-,24+,25+,26-,27-,28-,29+,30-,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41+/m0/s1
InChIKey
KSIVGTKSVYIZEB-ZAVODWKASA-N
Chemical Structure
2D Structure
2D structure of Lirioprolioside B
CAS: 182284-68-0
CID: 91973810
Formula: C41H64O13
MW: 764.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight764.9
XLogP33.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass764.43469209
Monoisotopic Mass764.43469209
Topological Polar Surface Area183 Ų
Heavy Atom Count54
Formal Charge0
Complexity1440
Isotope Atom Count0
Defined Atom Stereocenter Count22
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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