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(+) -Isoampelopsin F

CAT: 0931-TN6249Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN6249Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
354553-38-1
Bioactivity
(+) -Isoampelopsin F is a natural product for research related to life sciences. The catalog number is TN6249 and the CAS number is 354553-38-1.
Smiles
[H][C@]12[C@H](c3ccc(O)cc3)[C@]([H])(c3c1cc(O)cc3O)c1cc(O)cc(O)c1[C@@H]2c1ccc(O)cc1 |TLB:21:20:2:12.13,THB:14:13:2:27.28.20,18:12:2:27.28.20,29:28:2:12.13|
Molecular Formula
C28H22O6
Molecular Weight
454.478
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1S,8S,9R,16S)-8,16-bis(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol
CAS Number354553-38-1
PubChem CID162890012
IUPAC Name(1S,8S,9R,16S)-8,16-bis(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol
Molecular FormulaC28H22O6
Molecular Weight454.5
XLogP4.6
Topological Polar Surface Area121
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count34
Formal Charge0
Complexity716
SMILES
C1=CC(=CC=C1[C@H]2[C@@H]3[C@H](C4=C([C@H]2C5=C3C=C(C=C5O)O)C=C(C=C4O)O)C6=CC=C(C=C6)O)O
InChI
InChI=1S/C28H22O6/c29-15-5-1-13(2-6-15)23-25-19(9-17(31)11-21(25)33)28-24(14-3-7-16(30)8-4-14)27(23)20-10-18(32)12-22(34)26(20)28/h1-12,23-24,27-34H/t23-,24-,27-,28+/m0/s1
InChIKey
LJHNYAXAPRDORG-NQPYUKKHSA-N
Chemical Structure
2D Structure
2D structure of (1S,8S,9R,16S)-8,16-bis(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol
CAS: 354553-38-1
CID: 162890012
Formula: C28H22O6
MW: 454.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.5
XLogP34.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass454.14163842
Monoisotopic Mass454.14163842
Topological Polar Surface Area121 Ų
Heavy Atom Count34
Formal Charge0
Complexity716
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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