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Suffruticoside C

CAT: 1596-AR-S01947-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S01947-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
145898-96-0
Synonyms
(4R,5R,6R) -6- (((2R,3S,4S,5R,6S) -6- (2-acetyl-5-methoxyphenoxy) -3,4,5-trihydroxytetrahydro-2H-pyran-2-yl) methoxy) -4,5-dihydroxytetrahydro-2H-pyran-3-yl 3,4,5-trihydroxybenzoate
Molecular Formula
C27H32O16
Molecular Weight
612.55
API Name
Suffruticoside C

Chemical Information

Suffruticoside C
CAS Number145898-96-0
PubChem CID10258206
IUPAC Name[(3S,4R,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-(2-acetyl-5-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxyoxan-3-yl] 3,4,5-trihydroxybenzoate
Molecular FormulaC27H32O16
Molecular Weight612.5
XLogP-1.5
Topological Polar Surface Area251
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Heavy Atom Count43
Formal Charge0
Complexity925
SMILES
CC(=O)C1=C(C=C(C=C1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@H](CO3)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O
InChI
InChI=1S/C27H32O16/c1-10(28)13-4-3-12(38-2)7-16(13)42-27-24(36)22(34)20(32)18(43-27)9-40-26-23(35)21(33)17(8-39-26)41-25(37)11-5-14(29)19(31)15(30)6-11/h3-7,17-18,20-24,26-27,29-36H,8-9H2,1-2H3/t17-,18+,20+,21-,22-,23+,24+,26-,27+/m0/s1
InChIKey
RCIAZDQVOCMCHH-OJMZZINESA-N
Chemical Structure
2D Structure
2D structure of Suffruticoside C
CAS: 145898-96-0
CID: 10258206
Formula: C27H32O16
MW: 612.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight612.5
XLogP3-1.5
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Exact Mass612.16903493
Monoisotopic Mass612.16903493
Topological Polar Surface Area251 Ų
Heavy Atom Count43
Formal Charge0
Complexity925
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

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Alternative Products

CatalogName
TBZ0907Suffruticoside A
TBZ0909Suffruticoside C
TBZ0908Suffruticoside B
TBZ0910Suffruticoside D

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