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Regaloside D

CAT: 0013-GTR19156634-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156634-01Size:100 mg
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Description
Regaloside D is a natural product isolated from Lilium Longiflorum.
CAS Number
120601-66-3
Purity
>98% (HPLC)
Smiles
OC[C@@H] (COC (/C=C/C (C=C1) =CC=C1O) =O) O[C@@H] ([C@@H] ([C@H]2O) O) O[C@@H] ([C@H]2O) CO
Molecular Formula
C18H24O10
Molecular Weight
400.4
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Regaloside D

Regaloside D has been reported in Lilium pardalinum, Lilium auratum, and other organisms with data available.

CAS Number120601-66-3
PubChem CID14284473
IUPAC Name[(2S)-3-hydroxy-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular FormulaC18H24O10
Molecular Weight400.4
XLogP-1.1
Topological Polar Surface Area166
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity505
SMILES
C1=CC(=CC=C1/C=C/C(=O)OC[C@H](CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
InChI
InChI=1S/C18H24O10/c19-7-12(27-18-17(25)16(24)15(23)13(8-20)28-18)9-26-14(22)6-3-10-1-4-11(21)5-2-10/h1-6,12-13,15-21,23-25H,7-9H2/b6-3+/t12-,13+,15+,16-,17+,18+/m0/s1
InChIKey
HHNPREGNVCFCOP-MHSMMQCRSA-N
Chemical Structure
2D Structure
2D structure of Regaloside D
CAS: 120601-66-3
CID: 14284473
Formula: C18H24O10
MW: 400.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight400.4
XLogP3-1.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass400.13694696
Monoisotopic Mass400.13694696
Topological Polar Surface Area166 Ų
Heavy Atom Count28
Formal Charge0
Complexity505
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes