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Ganoderic acid I

CAT: 0804-HY-N2999-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N2999-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ganoderic acid I is a triterpenoid found in ganoderma lucidum[1].
CAS Number
98665-20-4
UNSPSC
12352211
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/ganoderic-acid-i.html
Purity
99.14
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
C[C@]12C3=C(C(C[C@@]1([C@](CC2=O)([H])[C@@](C)(O)CC(C[C@@H](C)C(O)=O)=O)C)=O)[C@@]4([C@@](C(C)([C@H](CC4)O)C)([H])C[C@@H]3O)C
Molecular Formula
C30H44O8
Molecular Weight
532.67
References & Citations
[1]T Kikuchi, et al. GANODERIC ACID G AND I AND GANOLUCIDIC ACID A AND B, NEW TRITERPENOIDS FROM GANODERMA LUCIDUM[J]. Chemical & Pharmaceutical Bulletin, 1985.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

(2R,6S)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid
CAS Number98665-20-4
PubChem CID156595229
IUPAC Name(2R,6S)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid
Molecular FormulaC30H44O8
Molecular Weight532.7
XLogP1
Topological Polar Surface Area149
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity1120
SMILES
C[C@H](CC(=O)C[C@@](C)([C@@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C)O)C(=O)O
InChI
InChI=1S/C30H44O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,17,19-21,32,34,38H,8-14H2,1-7H3,(H,36,37)/t15-,17+,19+,20-,21+,27+,28-,29+,30+/m1/s1
InChIKey
ZWMMEKXOLCCKLA-OCYWOBKISA-N
Chemical Structure
2D Structure
2D structure of (2R,6S)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid
CAS: 98665-20-4
CID: 156595229
Formula: C30H44O8
MW: 532.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.7
XLogP31
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass532.30361836
Monoisotopic Mass532.30361836
Topological Polar Surface Area149 Ų
Heavy Atom Count38
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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