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Ethyl ganoderate A

CAT: 0013-GTR19242948-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242948-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ethyl ganoderate A is a natural product for life science research. Studies indicate it is investigated in vitro and in vivo for its potential biological activities, including research related to metabolic and inflammatory pathways.
CAS Number
2242593-18-4
Smiles
C[C@]12C3=C ([C@]4 (C) [C@@] (C[C@@H]3O) (C (C) (C) C (=O) CC4) [H]) C (=O) C[C@]1 (C) [C@@] ([C@@H] (CC (CC (C (OCC) =O) C) =O) C) (C[C@@H]2O) [H]
Molecular Formula
C32H48O7
Molecular Weight
544.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ethyl (6R)-6-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
CAS Number2242593-18-4
PubChem CID176419451
IUPAC Nameethyl (6R)-6-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
Molecular FormulaC32H48O7
Molecular Weight544.7
XLogP2.9
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity1100
SMILES
CCOC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1C[C@@H]([C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)O)C)C)O
InChI
InChI=1S/C32H48O7/c1-9-39-28(38)18(3)13-19(33)12-17(2)20-14-25(37)32(8)27-21(34)15-23-29(4,5)24(36)10-11-30(23,6)26(27)22(35)16-31(20,32)7/h17-18,20-21,23,25,34,37H,9-16H2,1-8H3/t17-,18?,20-,21+,23+,25+,30+,31-,32+/m1/s1
InChIKey
YDXIMGCVJIDBOH-AENBIIATSA-N
Chemical Structure
2D Structure
2D structure of ethyl (6R)-6-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
CAS: 2242593-18-4
CID: 176419451
Formula: C32H48O7
MW: 544.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight544.7
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass544.34000387
Monoisotopic Mass544.34000387
Topological Polar Surface Area118 Ų
Heavy Atom Count39
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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