Tubuloside B

CAT: 1410-M23318-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:1410-M23318-01Size:5 mg

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Description

The neuroprotective effect of tubuloside B, one of the phenylethanoids isolated from the stems of Cistanche salsa, on tumor necrosis factor-alpha (TNFalpha) -induced apoptosis in SH-SY5Y neuronal cells.

CAS Number

112516-04-8

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

666.6

Molecular Formula

C31H38O16

Notes

Research use only, not for human use.

Receptor

Others

Chemical Information

Tubuloside B

Tubuloside B has been reported in Cistanche salsa, Cistanche tubulosa, and other organisms with data available.

CAS Number	112516-04-8
PubChem CID	9831166
IUPAC Name	[(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Formula	C31H38O16
Molecular Weight	666.6
XLogP	0.1
Topological Polar Surface Area	251
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	13
Heavy Atom Count	47
Formal Charge	0
Complexity	1040

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2OC(=O)C)OCCC3=CC(=C(C=C3)O)O)COC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O

InChI

InChI=1S/C31H38O16/c1-14-24(38)26(40)27(41)30(44-14)47-28-25(39)22(13-43-23(37)8-5-16-3-6-18(33)20(35)11-16)46-31(29(28)45-15(2)32)42-10-9-17-4-7-19(34)21(36)12-17/h3-8,11-12,14,22,24-31,33-36,38-41H,9-10,13H2,1-2H3/b8-5+/t14-,22+,24-,25+,26+,27+,28-,29+,30-,31+/m0/s1

InChIKey

HFJIGXAMJFDVFR-OMRKUVHCSA-N

Chemical Structure

2D Structure

CAS: 112516-04-8

CID: 9831166

Formula: C31H38O16

MW: 666.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	666.6
XLogP3	0.1
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	13
Exact Mass	666.21598512
Monoisotopic Mass	666.21598512
Topological Polar Surface Area	251 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1040
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
TB0466-0020	Tubuloside A
TN8525-01	Tubuloside E
372047	Tubuloside A discontinued
MBS3613003-01	tubuloside B
HY-N2155R	Tubuloside A (Standard)

Tubuloside B

Chemical Information

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