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Erythrodiol

CAT: 0931-T8165-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T8165-01Size:1 mg
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CAS Number
545-48-2
Target
Endogenous Metabolite, ABC Transporter
Related Pathways
Metabolism, Membrane transporter/Ion channel
Purity
0.9994
Bioactivity
Erythrodiol, an olive oil component, promotes Cholesterol efflux (ChE) by selectively inhibiting the degradation of ABCA1 protein.
Smiles
CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Molecular Formula
C30H50O2
Molecular Weight
442.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(+)-Erythrodiol

Erythrodiol is a pentacyclic triterpenoid that is beta-amyrin in which one of the hydrogens of the methyl group at position 28 has been replaced by a hydroxy group. It is a plant metabolite found in olive oil as well as in Rhododendron ferrugineum and other Rhododendron species. It has a role as a plant metabolite. It is a primary alcohol, a diol, a pentacyclic triterpenoid and a secondary alcohol. It is functionally related to a beta-amyrin.

CAS Number545-48-2
PubChem CID101761
IUPAC Name(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
Molecular FormulaC30H50O2
Molecular Weight442.7
XLogP7.6
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count32
Formal Charge0
Complexity810
SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)CO)C)C)(C)C)O
InChI
InChI=1S/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1
InChIKey
PSZDOEIIIJFCFE-OSQDELBUSA-N
Chemical Structure
2D Structure
2D structure of (+)-Erythrodiol
CAS: 545-48-2
CID: 101761
Formula: C30H50O2
MW: 442.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.7
XLogP37.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass442.381080833
Monoisotopic Mass442.381080833
Topological Polar Surface Area40.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity810
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AB2922Erythrodiol
HY-N12160-01Erythrodiol diacetate
TRC-E650105-10MG3beta-Erythrodiol
TRC-E650105-25MG3b-Erythrodiol
428245-013β-Erythrodiol
HY-N2419RErythrodiol (Standard)
GTR19181935Erythrodiol 3-palmitate
HY-N3862Erythrodiol 3-O-palmitate

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