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N-Methyltaxol C

CAT: 0804-HY-N7349Size: 1 EachDry Ice: NoHazardous: No
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Description
N-Methyltaxol C is a Diterpenoids product that can be isolated from the branches of Taxus Chinensis var.Mairei.[1].
CAS Number
153083-53-5
UNSPSC
12352005
Hazard Statement
H301-H340-H351-H360-H372
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/n-methyltaxol-c.html
Smiles
CC(O[C@]12[C@@]([C@]3([C@@H](O)C[C@@]1([H])OC2)C)([H])[C@@H]([C@]4(C(C)(C([C@@H](OC(C)=O)C3=O)=C(C)[C@@H](OC([C@H](O)[C@H](C5=CC=CC=C5)N(C)C(CCCCC)=O)=O)C4)C)O)OC(C6=CC=CC=C6)=O)=O
Molecular Formula
C47H59NO14
Molecular Weight
861.97
Precautions
P260-P264-P270-P280-P330-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

N-Methyltaxol C

N-Methyltaxol C has been reported in Taxus cuspidata, Taxus baccata, and Taxus with data available.

CAS Number153083-53-5
PubChem CID10260022
IUPAC Name[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-[hexanoyl(methyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Molecular FormulaC47H59NO14
Molecular Weight862.0
XLogP2.9
Topological Polar Surface Area213
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count17
Heavy Atom Count62
Formal Charge0
Complexity1770
SMILES
CCCCCC(=O)N(C)[C@@H](C1=CC=CC=C1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O
InChI
InChI=1S/C47H59NO14/c1-9-10-13-22-34(52)48(8)36(29-18-14-11-15-19-29)37(53)43(56)60-31-24-47(57)41(61-42(55)30-20-16-12-17-21-30)39-45(7,32(51)23-33-46(39,25-58-33)62-28(4)50)40(54)38(59-27(3)49)35(26(31)2)44(47,5)6/h11-12,14-21,31-33,36-39,41,51,53,57H,9-10,13,22-25H2,1-8H3/t31-,32-,33+,36-,37+,38+,39-,41-,45+,46-,47+/m0/s1
InChIKey
LJTMOSWWGSCCPR-AMMYIWEDSA-N
Chemical Structure
2D Structure
2D structure of N-Methyltaxol C
CAS: 153083-53-5
CID: 10260022
Formula: C47H59NO14
MW: 862.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight862.0
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count17
Exact Mass861.39355556
Monoisotopic Mass861.39355556
Topological Polar Surface Area213 Ų
Heavy Atom Count62
Formal Charge0
Complexity1770
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
459520-01N-Methyltaxol C
OH153454-01N, N', N'', N''', N'''', N''''', N''''''-Heptaacetylchitoheptaose
297193-01N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
TRC-H290750-10MGN,N’,N’’,N’’’,N’’’’,N’’’’’-Hexaacetylchitohexaose
FH171463-01N, N, N', N', N'', N''-Hexamethoxymethylmelamine
OR9122-01N, N, N', N', N'', N''-Hexamethylmethanetriamine
OR22662N, N, N, N, N, N-hexaethylphosphinetricarboxamide
AR-O01213-01N, N’, N’’, N’’’, N’’’’, N’’’’’-Hexaacetylchitohexaose
sc-255378N, N, N', N'', N''-Pentamethyldiethylenetriamine
TRC-P225000-100MGN,N’,N’’,N’’’,N’’’’-Pentaacetylchitopentaose

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