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Maejaposide C

CAT: 0931-T125307-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T125307-02Size:5 mg
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CAS Number
221467-31-8
Target
Others
Related Pathways
Others
Bioactivity
Maejaposide C is a useful organic compound for research related to life sciences. The catalog number is T125307 and the CAS number is 221467-31-8.
Smiles
C\C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)C(\C)=C/C)C(C)(C)CC2[C@@]34CCC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)C(O)=O)C(C)(C)C6CC[C@@]5(C)[C@]3(C)C[C@@H](O)[C@@]12[C@H](O)O4
Molecular Formula
C69H108O32
Molecular Weight
1449.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Maejaposide C

Maejaposide C has been reported in Maesa japonica with data available.

CAS Number221467-31-8
PubChem CID45360205
IUPAC Name(2S,3S,4S,5R,6R)-6-[[(1R,2R,4S,5R,10S,13R,17S,21R,22R,23R)-2,23-dihydroxy-4,5,9,9,13,20,20-heptamethyl-21,22-bis[[(Z)-2-methylbut-2-enoyl]oxy]-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl]oxy]-4-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
Molecular FormulaC69H108O32
Molecular Weight1449.6
XLogP0.4
Topological Polar Surface Area495
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count32
Rotatable Bond Count19
Heavy Atom Count101
Formal Charge0
Complexity3040
SMILES
C/C=C(/C)\C(=O)O[C@H]1[C@@H](C(CC2[C@@]13[C@@H](C[C@@]4([C@@]2(CCC5[C@]4(CCC6[C@@]5(CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)C)O[C@H]3O)C)O)(C)C)OC(=O)/C(=C\C)/C
InChI
InChI=1S/C69H108O32/c1-13-26(3)55(86)99-52-53(100-56(87)27(4)14-2)69-34(21-63(52,6)7)68(101-62(69)88)20-16-33-65(10)18-17-36(64(8,9)32(65)15-19-66(33,11)67(68,12)22-35(69)73)93-61-51(98-58-45(82)41(78)39(76)30(23-70)91-58)47(46(83)48(95-61)54(84)85)94-60-50(43(80)40(77)31(24-71)92-60)97-59-49(42(79)37(74)28(5)90-59)96-57-44(81)38(75)29(72)25-89-57/h13-14,28-53,57-62,70-83,88H,15-25H2,1-12H3,(H,84,85)/b26-13-,27-14-/t28-,29+,30+,31+,32?,33?,34?,35+,36-,37-,38-,39-,40-,41-,42+,43-,44+,45+,46-,47-,48-,49+,50+,51+,52-,53-,57-,58-,59-,60-,61+,62+,65-,66+,67-,68-,69+/m0/s1
InChIKey
GMWFLRBBLJCJDG-AVJKRUMUSA-N
Chemical Structure
2D Structure
2D structure of Maejaposide C
CAS: 221467-31-8
CID: 45360205
Formula: C69H108O32
MW: 1449.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1449.6
XLogP30.4
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count32
Rotatable Bond Count19
Exact Mass1448.6823713
Monoisotopic Mass1448.6823713
Topological Polar Surface Area495 Ų
Heavy Atom Count101
Formal Charge0
Complexity3040
Isotope Atom Count0
Defined Atom Stereocenter Count34
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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