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12-Hydroxyganoderic Acid D

CAT: 0804-HY-N7021-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N7021-02Size:5 mg
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Description
12-Hydroxyganoderic Acid D is a triterpenoid extracted from Ganoderma lucidum[1].
CAS Number
942950-96-1
UNSPSC
12352211
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/12-hydroxyganoderic-acid-d.html
Solubility
10 mM in DMSO
Smiles
CC1(C)C(CC[C@]2(C)C3=C([C@@]4(C(C[C@@H]([C@]4(C(O)C3=O)C)[C@H](C)CC(CC(C)C(O)=O)=O)=O)C)[C@@H](O)C[C@@]12[H])=O
Molecular Formula
C30H42O8
Molecular Weight
530.65
References & Citations
[1]Min Yang, et al. Analysis of Triterpenoids in Ganoderma lucidum Using Liquid Chromatography Coupled with Electrospray Ionization Mass Spectrometry
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

12-Hydroxyganoderic acid D

12-Hydroxyganoderic acid D has been reported in Ganoderma lucidum with data available.

CAS Number942950-96-1
PubChem CID131676060
IUPAC Name(6R)-6-[(5R,7S,10S,13R,14R,17R)-7,12-dihydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
Molecular FormulaC30H42O8
Molecular Weight530.6
XLogP1.3
Topological Polar Surface Area146
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity1150
SMILES
C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1(C(C(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)O)O)C)C
InChI
InChI=1S/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17-19,25,32,36H,8-13H2,1-7H3,(H,37,38)/t14-,15?,17-,18+,19+,25?,28+,29+,30+/m1/s1
InChIKey
LCIUOVOXWPIXOR-IGWWZKADSA-N
Chemical Structure
2D Structure
2D structure of 12-Hydroxyganoderic acid D
CAS: 942950-96-1
CID: 131676060
Formula: C30H42O8
MW: 530.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.6
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass530.28796829
Monoisotopic Mass530.28796829
Topological Polar Surface Area146 Ų
Heavy Atom Count38
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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