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Suavissimoside F1

CAT: 1410-M31841-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Suavissimoside F1 is a natural product.
CAS Number
95645-51-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
680.8
Molecular Formula
C36H56O12
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Suavissimoside R1

Suavissimoside R1 has been reported in Rubus ellipticus var. obcordatus, Trachelospermum asiaticum, and other organisms with data available.

CAS Number95645-51-5
PubChem CID21626352
IUPAC Name(2R,3R,4S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid
Molecular FormulaC36H56O12
Molecular Weight680.8
XLogP2.4
Topological Polar Surface Area214
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count48
Formal Charge0
Complexity1350
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]([C@@]5(C)C(=O)O)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/C36H56O12/c1-17-9-12-36(30(45)48-28-25(41)24(40)23(39)20(16-37)47-28)14-13-32(3)18(26(36)35(17,6)46)7-8-21-31(2)15-19(38)27(42)34(5,29(43)44)22(31)10-11-33(21,32)4/h7,17,19-28,37-42,46H,8-16H2,1-6H3,(H,43,44)/t17-,19-,20-,21-,22-,23-,24+,25-,26-,27+,28+,31-,32-,33-,34+,35-,36+/m1/s1
InChIKey
YXSQSVWHKZZWDD-FPLSKCGGSA-N
Chemical Structure
2D Structure
2D structure of Suavissimoside R1
CAS: 95645-51-5
CID: 21626352
Formula: C36H56O12
MW: 680.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight680.8
XLogP32.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass680.37717722
Monoisotopic Mass680.37717722
Topological Polar Surface Area214 Ų
Heavy Atom Count48
Formal Charge0
Complexity1350
Isotope Atom Count0
Defined Atom Stereocenter Count17
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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