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Ilexgenin B

CAT: 0804-HY-N8590Size: InquireDry Ice: NoHazardous: No
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CAT#:0804-HY-N8590Size:Inquire
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
109008-39-1
UNSPSC Description
Ilexgenin B is a natural product[1].
Target Antigen
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/ilexgenin-b.html
Smiles
OC([C@](CC[C@]12C)(CC[C@@H]3C)[C@]([C@@]3(O)C)([H])C1=CC[C@@]4([H])[C@]2(CC[C@](C(C)5C)([H])[C@@]4(CC[C@@H]5O)C)C)=O
Molecular Weight
472.70
Shipping Conditions
Room temperature
Clinical Information
No Development Reported

Chemical Information

Ilexgenin B
CAS Number109008-39-1
PubChem CID21626432
IUPAC Name(1R,2S,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular FormulaC30H48O4
Molecular Weight472.7
XLogP5.9
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count34
Formal Charge0
Complexity923
SMILES
C[C@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O
InChI
InChI=1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20-,21+,22-,23+,26-,27+,28+,29+,30-/m0/s1
InChIKey
ZZTYPLSBNNGEIS-NWKLQIEGSA-N
Chemical Structure
2D Structure
2D structure of Ilexgenin B
CAS: 109008-39-1
CID: 21626432
Formula: C30H48O4
MW: 472.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.7
XLogP35.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass472.35526001
Monoisotopic Mass472.35526001
Topological Polar Surface Area77.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity923
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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