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Ganoderic acid epsilon

CAT: 0926-ULA67405-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-ULA67405-03Size:50 mg
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CAS Number
294674-05-8
Smiles
CC (CC (C=C (C) C (=O) O) O) C1CC (=O) C2 (C1 (CC (=O) C3=C2C (CC4C3 (CCC (C4 (C) C) O) C) O) C) C
Molecular Formula
C30H44O7
Molecular Weight
516.7 g/mol
Controlled
No

Chemical Information

Ganoderic acid epsilon

Ganoderic acid epsilon is a triterpenoid.

CAS Number294674-05-8
PubChem CID15427810
IUPAC Name(E,4S,6R)-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]-4-hydroxy-2-methylhept-2-enoic acid
Molecular FormulaC30H44O7
Molecular Weight516.7
XLogP2.4
Topological Polar Surface Area132
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity1090
SMILES
C[C@H](C[C@@H](/C=C(\C)/C(=O)O)O)[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
InChI
InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,15,17-19,21-22,31-32,34H,8-10,12-14H2,1-7H3,(H,36,37)/b16-11+/t15-,17+,18-,19+,21+,22+,28+,29-,30+/m1/s1
InChIKey
MIWGXXQCEDNROQ-UZOYOLKESA-N
Chemical Structure
2D Structure
2D structure of Ganoderic acid epsilon
CAS: 294674-05-8
CID: 15427810
Formula: C30H44O7
MW: 516.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight516.7
XLogP32.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass516.30870374
Monoisotopic Mass516.30870374
Topological Polar Surface Area132 Ų
Heavy Atom Count37
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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