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Terpendole C

CAT: 0498-bs-75106C-01Size: 250 µgDry Ice: NoHazardous: No
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CAT#:0498-bs-75106C-01Size:250 µg
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CAS Number
156967-65-6
Conjugation
Unconjugated
Purity
>95% (HPLC)
Buffer
Solid
Solubility
Soluble in DMSO, ethanol or methanol.
Smiles
[H][C@]12CC3=C(NC4=CC=CC=C34)[C@]1(C)C1(C)CC[C@]3([H])O[C@H]4[C@@H](O[C@@H](OC4(C)C)C=C(C)C)[C@H]4O[C@@]34[C@]1(O)CC2
Molecular Formula
C32H41NO5
Molecular Weight
519.7
Storage Conditions
Stable for 3 years after receipt when stored at -20°C.
Appearance
Off-white solid.

Chemical Information

Terpendole C

Terpendole C is an organic heterotricyclic compound and an organooxygen compound.

CAS Number156967-65-6
PubChem CID10369388
IUPAC Name(1R,2S,13S,16S,17S,19R,20R,22S,25S,27S)-1,2,24,24-tetramethyl-22-(2-methylprop-1-enyl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.02,13.03,11.05,10.017,19.017,27.020,25]nonacosa-3(11),5,7,9-tetraen-16-ol
Molecular FormulaC32H41NO5
Molecular Weight519.7
XLogP4.9
Topological Polar Surface Area76.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count38
Formal Charge0
Complexity1060
SMILES
CC(=C[C@H]1O[C@H]2[C@@H]3[C@@]4(O3)[C@H](CC[C@]5([C@]4(CC[C@@H]6[C@@]5(C7=C(C6)C8=CC=CC=C8N7)C)O)C)O[C@@H]2C(O1)(C)C)C
InChI
InChI=1S/C32H41NO5/c1-17(2)15-23-36-24-26(28(3,4)37-23)35-22-12-13-29(5)30(6)18(11-14-31(29,34)32(22)27(24)38-32)16-20-19-9-7-8-10-21(19)33-25(20)30/h7-10,15,18,22-24,26-27,33-34H,11-14,16H2,1-6H3/t18-,22-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1
InChIKey
WUOATFFODCBZBE-SCGIUCFSSA-N
Chemical Structure
2D Structure
2D structure of Terpendole C
CAS: 156967-65-6
CID: 10369388
Formula: C32H41NO5
MW: 519.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight519.7
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass519.29847341
Monoisotopic Mass519.29847341
Topological Polar Surface Area76.2 Ų
Heavy Atom Count38
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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