Products for Research Use Only
RegisterLogin

Fabacein

CAT: 0013-GTR19237007-03Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19237007-03Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
The rhizomes of Hemsleya amabilis Diels.
CAS Number
37710-13-7
Purity
>98% (HPLC)
Solubility
DMSO, Pyridine, Methanol, Ethanol, etc.
Molecular Formula
C34H48O9
Molecular Weight
600.7
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Fabacein

NSC49452 has been reported in Trichosanthes cucumeroides, Marah fabacea, and Marah oregana with data available.

CAS Number37710-13-7
PubChem CID5356030
IUPAC Name[(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-2-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
Molecular FormulaC34H48O9
Molecular Weight600.7
XLogP2.7
Topological Polar Surface Area144
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count43
Formal Charge0
Complexity1320
SMILES
CC(=O)O[C@@H]1C[C@]2([C@@H]3CC=C4[C@H]([C@@]3(C(=O)C[C@@]2([C@H]1[C@](C)(C(=O)/C=C/C(C)(C)OC(=O)C)O)C)C)C[C@@H](C(=O)C4(C)C)O)C
InChI
InChI=1S/C34H48O9/c1-18(35)42-23-16-31(7)24-12-11-20-21(15-22(37)28(40)30(20,5)6)33(24,9)26(39)17-32(31,8)27(23)34(10,41)25(38)13-14-29(3,4)43-19(2)36/h11,13-14,21-24,27,37,41H,12,15-17H2,1-10H3/b14-13+/t21-,22+,23-,24+,27+,31+,32-,33+,34+/m1/s1
InChIKey
VDSNEQABQQKTRF-ZHECFNFVSA-N
Chemical Structure
2D Structure
2D structure of Fabacein
CAS: 37710-13-7
CID: 5356030
Formula: C34H48O9
MW: 600.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight600.7
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass600.32983310
Monoisotopic Mass600.32983310
Topological Polar Surface Area144 Ų
Heavy Atom Count43
Formal Charge0
Complexity1320
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

Alternative Products

CatalogName
T124932-01Fabacein

Popular Products