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Ganoderic acid am1

CAT: 0926-ZFA50755-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-ZFA50755-01Size:10 mg
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CAS Number
149507-55-1
MDL Number
MFCD21364032
Smiles
COC1=NC=C (C (=O) N1) C#N
Molecular Formula
C30H42O7
Molecular Weight
514.60 g/mol
Controlled
No

Chemical Information

Ganoderic Acid Am1

Ganoderic acid-AM1 is a triterpenoid.

CAS Number149507-55-1
PubChem CID71461264
IUPAC Name(6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
Molecular FormulaC30H42O7
Molecular Weight514.6
XLogP2.6
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity1110
SMILES
C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
InChI
InChI=1S/C30H42O7/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/h15-16,18,21-22,34H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,21+,22+,28+,29-,30+/m1/s1
InChIKey
RDMQPKIDHAFXKA-JNORPAGFSA-N
Chemical Structure
2D Structure
2D structure of Ganoderic Acid Am1
CAS: 149507-55-1
CID: 71461264
Formula: C30H42O7
MW: 514.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight514.6
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass514.29305367
Monoisotopic Mass514.29305367
Topological Polar Surface Area126 Ų
Heavy Atom Count37
Formal Charge0
Complexity1110
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes