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Ganodermanontriol

CAT: 0013-GTR19205816-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205816-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ganodermanontriol
CAS Number
106518-63-2
Product Name Alternative
Ganodermanontriol
Field of Research
Cell Biology, Signal Transduction, Stem Cell & Developmental Biology
Purity
99.97% (May vary between batches)
Solubility
DMSO:80 mg/mL (169.24 mM)
Smiles
C[C@@]12C=3C ([C@@]4 (C) [C@] (C) (CC3) [C@@] ([C@@H] (CC[C@@H] ([C@] (CO) (C) O) O) C) (CC4) [H]) =CC[C@]1 (C (C) (C) C (=O) CC2) [H]
Molecular Formula
C30H48O4
Molecular Weight
472.7
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ganodermanontriol

Ganodermanontriol is a natural product found in Ganoderma lucidum. It has a role as a metabolite.

CAS Number106518-63-2
PubChem CID3001811
IUPAC Name(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R,5S,6R)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC30H48O4
Molecular Weight472.7
XLogP4.8
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity901
SMILES
C[C@H](CC[C@@H]([C@@](C)(CO)O)O)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C
InChI
InChI=1S/C30H48O4/c1-19(8-11-25(33)30(7,34)18-31)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23,25,31,33-34H,8,10-12,14-18H2,1-7H3/t19-,20-,23+,25+,27-,28-,29+,30-/m1/s1
InChIKey
KASALCUNLBTNAA-LIPCCPSCSA-N
Chemical Structure
2D Structure
2D structure of Ganodermanontriol
CAS: 106518-63-2
CID: 3001811
Formula: C30H48O4
MW: 472.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.7
XLogP34.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass472.35526001
Monoisotopic Mass472.35526001
Topological Polar Surface Area77.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity901
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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