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Dehydrotrametenolic acid

CAT: 0013-GTR19160390-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160390-01Size:200 mg
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Description
Dehydrotrametenolic acid can be a potential anticancer agent against H-ras transformed tumor. Dehydrotrametenolic acid is a promising candidate for a new type of insulin-sensitizing drug.
CAS Number
29220-16-4
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 14.29 mg/mL (31.43 mM)
Smiles
CC (=CCCC (C1CCC2 (C1 (CC=C3C2=CCC4C3 (CCC (C4 (C) C) O) C) C) C) C (=O) O) C
Molecular Formula
C30H46O3
Molecular Weight
454.69
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Dehydrotrametenolic Acid

3-Dehydrotrametenolic acid has been reported in Wolfiporia cocos with data available.

CAS Number29220-16-4
PubChem CID15391340
IUPAC Name(2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
Molecular FormulaC30H46O3
Molecular Weight454.7
XLogP7.2
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity904
SMILES
CC(=CCC[C@H]([C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)C(=O)O)C
InChI
InChI=1S/C30H46O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,11,14,20-21,24-25,31H,8,10,12-13,15-18H2,1-7H3,(H,32,33)/t20-,21-,24+,25+,28-,29-,30+/m1/s1
InChIKey
QFPLAAZRZNKRRY-GIICLEHTSA-N
Chemical Structure
2D Structure
2D structure of Dehydrotrametenolic Acid
CAS: 29220-16-4
CID: 15391340
Formula: C30H46O3
MW: 454.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.7
XLogP37.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass454.34469533
Monoisotopic Mass454.34469533
Topological Polar Surface Area57.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity904
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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