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Depressine

CAT: 0931-TN1571-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1571-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
176182-06-2
Target
Others
Related Pathways
Others
Purity
0.9955
Bioactivity
Depressine is a cycloaromatic triterpenoid glycoside isolated from Gentiana depressa, suitable for biochemical experiments and drug synthesis research.
Smiles
O=C(OCCC1C(=COC(OC2OC(CO)C(O)C(O)C2O)C1C=C)C(=O)OC)C=3C=CC=C(OC4OC(CO)C(O)C(O)C4O)C3O
Molecular Formula
C30H40O18
Molecular Weight
688.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Depressine

Depressine has been reported in Gentiana depressa with data available.

CAS Number176182-06-2
PubChem CID101696497
IUPAC Namemethyl (2S,3R,4S)-3-ethenyl-4-[2-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxyethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
Molecular FormulaC30H40O18
Molecular Weight688.6
XLogP-1.1
Topological Polar Surface Area281
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count18
Rotatable Bond Count14
Heavy Atom Count48
Formal Charge0
Complexity1120
SMILES
COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CCOC(=O)C2=C(C(=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C30H40O18/c1-3-12-13(15(26(40)42-2)11-44-28(12)48-30-25(39)23(37)21(35)18(10-32)47-30)7-8-43-27(41)14-5-4-6-16(19(14)33)45-29-24(38)22(36)20(34)17(9-31)46-29/h3-6,11-13,17-18,20-25,28-39H,1,7-10H2,2H3/t12-,13+,17-,18-,20-,21-,22+,23+,24-,25-,28+,29-,30+/m1/s1
InChIKey
ODVCSBYBNISFOU-HNEGCACGSA-N
Chemical Structure
2D Structure
2D structure of Depressine
CAS: 176182-06-2
CID: 101696497
Formula: C30H40O18
MW: 688.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight688.6
XLogP3-1.1
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count18
Rotatable Bond Count14
Exact Mass688.22146442
Monoisotopic Mass688.22146442
Topological Polar Surface Area281 Ų
Heavy Atom Count48
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP24078-01Depressine
371361Depressine discontinued

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