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Rosamultin

CAT: 0607-BA1982-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1982-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
88515-58-6
Form
A solid
Molecular Formula
C36H58O10
Molecular Weight
650.84
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

Rosamultin

Rosamultin has been reported in Rosa laevigata, Photinia glabra, and other organisms with data available.

CAS Number88515-58-6
PubChem CID21122581
IUPAC Name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular FormulaC36H58O10
Molecular Weight650.8
XLogP3.2
Topological Polar Surface Area177
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count46
Formal Charge0
Complexity1250
SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI
InChI=1S/C36H58O10/c1-18-10-13-36(30(43)46-29-26(41)25(40)24(39)21(17-37)45-29)15-14-33(5)19(27(36)35(18,7)44)8-9-23-32(4)16-20(38)28(42)31(2,3)22(32)11-12-34(23,33)6/h8,18,20-29,37-42,44H,9-17H2,1-7H3/t18-,20-,21-,22+,23-,24-,25+,26-,27-,28+,29+,32+,33-,34-,35-,36+/m1/s1
InChIKey
MLKQAGPAYHTNQQ-BRDPIYJESA-N
Chemical Structure
2D Structure
2D structure of Rosamultin
CAS: 88515-58-6
CID: 21122581
Formula: C36H58O10
MW: 650.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight650.8
XLogP33.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass650.40299804
Monoisotopic Mass650.40299804
Topological Polar Surface Area177 Ų
Heavy Atom Count46
Formal Charge0
Complexity1250
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TBW00011Rosamultin
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A22429-20Rosamultin 20mg
A22429-10Rosamultin 10mg
A22429-5Rosamultin 5mg
A22429-50Rosamultin 50mg
A22429-1Rosamultin 1mg
A22429-10mM-DRosamultin 10mM * 1mL in DMSO

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