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Taikuguasin D

CAT: 1410-M23006-01Size: 1 EachDry Ice: NoHazardous: No
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Description
——
CAS Number
1627163-80-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
——
Molecular Formula
C37H60O9
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Taikuguasin D
CAS Number1627163-80-7
PubChem CID168013523
IUPAC Name(2R,3R,4S,5S,6R)-2-[(4R,6R)-6-[(1R,4S,5S,8R,9R,12S,13S,16S,19R)-16-hydroxy-19-methoxy-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-8-yl]-2-methylhept-2-en-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC37H60O9
Molecular Weight648.9
XLogP5.1
Topological Polar Surface Area138
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count46
Formal Charge0
Complexity1200
SMILES
C[C@H](C[C@H](C=C(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H]2CC[C@@]3([C@@]2(CC[C@]45[C@H]3C=C[C@]6([C@H]4CC[C@@H](C6(C)C)O)O[C@H]5OC)C)C
InChI
InChI=1S/C37H60O9/c1-20(2)17-22(44-31-30(42)29(41)28(40)24(19-38)45-31)18-21(3)23-11-13-35(7)25-12-14-37-26(9-10-27(39)33(37,4)5)36(25,32(43-8)46-37)16-15-34(23,35)6/h12,14,17,21-32,38-42H,9-11,13,15-16,18-19H2,1-8H3/t21-,22+,23-,24-,25+,26+,27+,28-,29+,30-,31-,32-,34-,35+,36+,37-/m1/s1
InChIKey
RVCCHJUOIUYRLI-OFUYWKQXSA-N
Chemical Structure
2D Structure
2D structure of Taikuguasin D
CAS: 1627163-80-7
CID: 168013523
Formula: C37H60O9
MW: 648.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight648.9
XLogP35.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass648.42373349
Monoisotopic Mass648.42373349
Topological Polar Surface Area138 Ų
Heavy Atom Count46
Formal Charge0
Complexity1200
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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