Products for Research Use Only
RegisterLogin

Neo-gambogic acid

CAT: 0013-GTR19157527-01Size: 200 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19157527-01Size:200 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Neogambogic acid an active ingredient in garcinia can inhibit the growth of some solid tumors and result in an anticancer effect it may be responsible for the inhibition of proliferation of human breast cancer cell line MCF-7 cells.
CAS Number
93772-31-7
Purity
>98% (HPLC)
Smiles
C\C (C) =C\CCC1 (C) CC (O) c2c (O) c3C (=O) C4=CC5CC6C (C) (C) OC (C\C=C (/C) C (O) =O) (C5=O) C46Oc3c (C\C=C (/C) C) c2O1
Molecular Formula
C38H46O9?
Molecular Weight
646.8
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Neo-gambogic acid

from Gamboge (Garcinia hanburryi); structure given in first source

CAS Number93772-31-7
PubChem CID6438568
IUPAC Name(E)-4-[10,12-dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,11,15-tetraen-19-yl]-2-methylbut-2-enoic acid
Molecular FormulaC38H46O9
Molecular Weight646.8
XLogP6.3
Topological Polar Surface Area140
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count47
Formal Charge0
Complexity1480
SMILES
CC(=CCCC1(CC(C2=C(C3=C(C(=C2O1)CC=C(C)C)OC45C6CC(C=C4C3=O)C(=O)C5(OC6(C)C)C/C=C(\C)/C(=O)O)O)O)C)C
InChI
InChI=1S/C38H46O9/c1-19(2)10-9-14-36(8)18-25(39)27-30(41)28-29(40)24-16-22-17-26-35(6,7)47-37(33(22)42,15-13-21(5)34(43)44)38(24,26)46-32(28)23(31(27)45-36)12-11-20(3)4/h10-11,13,16,22,25-26,39,41H,9,12,14-15,17-18H2,1-8H3,(H,43,44)/b21-13+
InChIKey
BLDWFKHVHHINGR-FYJGNVAPSA-N
Chemical Structure
2D Structure
2D structure of Neo-gambogic acid
CAS: 93772-31-7
CID: 6438568
Formula: C38H46O9
MW: 646.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight646.8
XLogP36.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass646.31418304
Monoisotopic Mass646.31418304
Topological Polar Surface Area140 Ų
Heavy Atom Count47
Formal Charge0
Complexity1480
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19171663-01Gambogic acid
GTR19160371-01Gambogic Acid
GTR19236975-01Gambogic acid A
GTR19228226-01Gambogic acid A
GTR19217651-01Gambogic acid B
GTR19235340-01Gambogic amide
GTR19236988-01Gambogoic acid A
GTR19230179-01Gambogoic acid A
GTR19167211-01Gambogenic acid
GTR19223050-01Neo-inositol

Alternative Products

CatalogName
MBS3610487-01neo-gambogic acid
2785-25Gambogic acid
MBS5791176Gambogic acid A

Popular Products