Forrestiacids K

CAT: 0013-GTR19230121-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19230121-02Size:50 mg

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Description

Forrestiacid K is a natural terpenoid isolated from Pseudotsuga forrestii that acts as a specific ATP-citrate lyase (ACL) inhibitor. This compound is a valuable research tool for studying lipid metabolism and cellular acetyl-CoA regulation in both in vitro and in vivo experimental models.

CAS Number

2920898-65-1

Field of Research

Metabolism Research

Smiles

C (O) (=O) [C@@]1 (C) [C@@]23[C@@] ([C@]4 (C) [C@@] (CC2) ([C@@] (C (O) =O) (C) CCC4) [H]) (C[C@] ([C@@H]1C (C[C@@H] (C) [C@@]5 ([C@]6 (C) [C@@] (C) (CC5) C7=C (CC6) [C@]8 (C) [C@@] (CC7) (C (C) (C) C (=O) CC8) [H]) [H]) =O) (C (C (C) C) =C3) [H]) [H]

Molecular Formula

C50H74O6

Molecular Weight

771.12

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Forrestiacids K

CAS Number	2920898-65-1
PubChem CID	168432151
IUPAC Name	(1S,4R,5R,9R,10R,12R,13S,14R)-5,9,14-trimethyl-13-[(3R)-3-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butanoyl]-16-propan-2-yltetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5,14-dicarboxylic acid
Molecular Formula	C50H74O6
Molecular Weight	771.1
XLogP	10.5
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	56
Formal Charge	0
Complexity	1820

SMILES

C[C@H](CC(=O)[C@H]1[C@H]2C[C@@H]3[C@]4(CCC[C@@]([C@@H]4CC[C@]3([C@]1(C)C(=O)O)C=C2C(C)C)(C)C(=O)O)C)[C@H]5CC[C@@]6([C@@]5(CCC7=C6CC[C@@H]8[C@@]7(CCC(=O)C8(C)C)C)C)C

InChI

InChI=1S/C50H74O6/c1-28(2)31-27-50-24-17-37-45(7,19-12-20-46(37,8)41(53)54)38(50)26-30(31)40(49(50,11)42(55)56)35(51)25-29(3)32-15-22-48(10)34-13-14-36-43(4,5)39(52)18-21-44(36,6)33(34)16-23-47(32,48)9/h27-30,32,36-38,40H,12-26H2,1-11H3,(H,53,54)(H,55,56)/t29-,30+,32-,36+,37-,38-,40-,44-,45+,46-,47-,48+,49+,50+/m1/s1

InChIKey

OZFLOLIMHNNNBU-RVQSGOMJSA-N

Chemical Structure

2D Structure

CAS: 2920898-65-1

CID: 168432151

Formula: C50H74O6

MW: 771.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	771.1
XLogP3	10.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	770.54854008
Monoisotopic Mass	770.54854008
Topological Polar Surface Area	109 Å²
Heavy Atom Count	56
Formal Charge	0
Complexity	1820
Isotope Atom Count	0
Defined Atom Stereocenter Count	14
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS5821594	Forrestiacids J
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Forrestiacids K

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