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Boschnaloside

CAT: 0926-XCA96355-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-XCA96355-01Size:10 mg
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CAS Number
72963-55-4
Smiles
CC1CCC2C1C (OC=C2C=O) OC3C (C (C (C (O3) CO) O) O) O
Molecular Formula
C16H24O8
Molecular Weight
344.36 g/mol
Controlled
No

Chemical Information

Boschnaloside

8-Epiiridotrial glucoside is a terpene glycoside.

CAS Number72963-55-4
PubChem CID155942
IUPAC Name(1S,4aS,7R,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde
Molecular FormulaC16H24O8
Molecular Weight344.36
XLogP-0.4
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity494
SMILES
C[C@@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C16H24O8/c1-7-2-3-9-8(4-17)6-22-15(11(7)9)24-16-14(21)13(20)12(19)10(5-18)23-16/h4,6-7,9-16,18-21H,2-3,5H2,1H3/t7-,9-,10-,11-,12-,13+,14-,15+,16+/m1/s1
InChIKey
MRIFZKMKTDPBHR-XLOWEYQUSA-N
Chemical Structure
2D Structure
2D structure of Boschnaloside
CAS: 72963-55-4
CID: 155942
Formula: C16H24O8
MW: 344.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.36
XLogP3-0.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass344.14711772
Monoisotopic Mass344.14711772
Topological Polar Surface Area126 Ų
Heavy Atom Count24
Formal Charge0
Complexity494
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN6262Boschnaloside

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