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Methyl ganoderate E

CAT: 0013-GTR19233206Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233206Size:5 mg
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Description
Methyl ganoderate E (CAS 98718-43-5) is a natural lanostane triterpenoid used as a reference standard. Research applications include in vitro studies on its potential bioactive properties, often in the context of natural product chemistry and pharmacological screening.
CAS Number
98718-43-5
Smiles
C[C@]12C3=C ([C@]4 (C) [C@@] (CC3=O) (C (C) (C) C (=O) CC4) [H]) C (=O) C[C@]1 (C) [C@@] ([C@@H] (CC (C[C@H] (C (OC) =O) C) =O) C) (CC2=O) [H]
Molecular Formula
C31H42O7
Molecular Weight
526.7
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

methyl ganoderate E
CAS Number98718-43-5
PubChem CID169553329
IUPAC Namemethyl (2R,6R)-2-methyl-4-oxo-6-[(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoate
Molecular FormulaC31H42O7
Molecular Weight526.7
XLogP2.6
Topological Polar Surface Area112
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity1170
SMILES
C[C@H](CC(=O)C[C@@H](C)C(=O)OC)[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2C(=O)CC4[C@@]3(CCC(=O)C4(C)C)C)C)C
InChI
InChI=1S/C31H42O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h16-17,19,22H,9-15H2,1-8H3/t16-,17-,19-,22?,29+,30-,31+/m1/s1
InChIKey
PLCLICIRIHEOIB-JGOCZYLCSA-N
Chemical Structure
2D Structure
2D structure of methyl ganoderate E
CAS: 98718-43-5
CID: 169553329
Formula: C31H42O7
MW: 526.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.7
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass526.29305367
Monoisotopic Mass526.29305367
Topological Polar Surface Area112 Ų
Heavy Atom Count38
Formal Charge0
Complexity1170
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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