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Mahuannin E

CAT: 0931-TN7409-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7409-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1173887-70-1
Target
Others
Related Pathways
Others
Bioactivity
Mahuannin E is a natural product that can be used as a reference standard. The CAS number of Mahuannin E is 1173887-70-1.
Smiles
OC1=C2[C@]3(C[C@](OC4=C3C5=C(C(O)=C4)C[C@@H](O)[C@H](O5)C6=CC=C(O)C=C6)(OC2=CC(O)=C1)C7=CC=C(O)C=C7)[H]
Molecular Formula
C30H24O9
Molecular Weight
528.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mahuannin E
CAS Number1173887-70-1
PubChem CID169553327
IUPAC Name(1R,5R,6R,13R)-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19-tetrol
Molecular FormulaC30H24O9
Molecular Weight528.5
XLogP4.1
Topological Polar Surface Area149
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count39
Formal Charge0
Complexity872
SMILES
C1[C@H]([C@H](OC2=C1C(=CC3=C2[C@@H]4C[C@](O3)(OC5=CC(=CC(=C45)O)O)C6=CC=C(C=C6)O)O)C7=CC=C(C=C7)O)O
InChI
InChI=1S/C30H24O9/c31-16-5-1-14(2-6-16)28-23(36)11-19-21(34)12-25-27(29(19)37-28)20-13-30(39-25,15-3-7-17(32)8-4-15)38-24-10-18(33)9-22(35)26(20)24/h1-10,12,20,23,28,31-36H,11,13H2/t20-,23-,28-,30-/m1/s1
InChIKey
BHGCRZWUKWPRDM-NKDQTGOISA-N
Chemical Structure
2D Structure
2D structure of Mahuannin E
CAS: 1173887-70-1
CID: 169553327
Formula: C30H24O9
MW: 528.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.5
XLogP34.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass528.14203234
Monoisotopic Mass528.14203234
Topological Polar Surface Area149 Ų
Heavy Atom Count39
Formal Charge0
Complexity872
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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