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Ganodermanondiol

CAT: 0127-BUP23873-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP23873-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
107900-76-5
MDL Number
MFCD20260670
Purity
≥95%
Smiles
C[C@@]12C=3C ([C@@]4 (C) [C@] (C) (CC3) [C@@] ([C@@H] (CC[C@@H] (C (C) (C) O) O) C) (CC4) [H]) =CC[C@]1 (C (C) (C) C (=O) CC2) [H]

Chemical Information

Ganodermanondiol

Ganodermanondiol has been reported in Ganoderma lucidum with data available.

CAS Number107900-76-5
PubChem CID10253565
IUPAC Name(10S,13R,14R,17R)-17-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC30H48O3
Molecular Weight456.7
XLogP5.8
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity879
SMILES
C[C@H](CC[C@@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CCC4[C@@]3(CCC(=O)C4(C)C)C)C)C
InChI
InChI=1S/C30H48O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,14,19-20,23,25,32-33H,9,11-13,15-18H2,1-8H3/t19-,20-,23?,25+,28-,29-,30+/m1/s1
InChIKey
AAJIHHYEPHRIET-JNAHJFNHSA-N
Chemical Structure
2D Structure
2D structure of Ganodermanondiol
CAS: 107900-76-5
CID: 10253565
Formula: C30H48O3
MW: 456.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.7
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass456.36034539
Monoisotopic Mass456.36034539
Topological Polar Surface Area57.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity879
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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