Siamenoside I - ≥98% , CAS No.126105-12-2

CAS: 126105-12-2 Cat. No.: S664613 Molecular Weight: 1125.29

GRADE & PURITY ≥98%

Synonyms

(3beta,9beta,10alpha,11alpha,24R)-3-(beta-D-Glucopyranosyloxy)-11,25-dihydroxy-9-methyl-19-norlanost-5-en-24-yl O-beta-D-glucopyranosyl-(1-2)-O-[beta-D-glucopyranosyl-(1-6)]-beta-D-glucopyranoside；(2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-2-(((3

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Siamenoside I is one of the mogrosides that has several kinds of bioactivities.
In vitro
Siamenoside I is the sweetest mogroside that has several kinds of bioactivities, and it is also a constituent of Siraitiae Fructus, a fruit and herb in China.In rats, siamenoside I was found to undergo deglycosylation, hydroxylation, dehydrogenation, deoxygenation, isomerization, and glycosylation reactions.

Specifications

Synonyms

(3beta, 9beta, 10alpha, 11alpha, 24R)-3-(beta-D-Glucopyranosyloxy)-11, 25-dihydroxy-9-methyl-19-norlanost-5-en-24-yl O-beta-D-glucopyranosyl-(1-2)-O-[beta-D-glucopyranosyl-(1-6)]-beta-D-glucopyranoside；(2S, 3R, 4S, 5S, 6R)-2-(((2S, 3R, 4S, 5S, 6R)-4, 5-Dihydroxy-2-(((3

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4CCC5(C4(CC(C6(C5CC=C7C6CCC(C7(C)C)OC8C(C(C(C(O8)CO)O)O)O)C)O)C)C
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[(3R,6R)-2-hydroxy-6-[(3S,8S,9R,10R,11R,13R,14S,17R)-11-hydroxy-4,4,9,13,14-pentamethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• InChIKey: XJIPREFALCDWRQ-UYQGGQRHSA-N
• INCHI: 1S/C54H92O24/c1-22(23-15-16-52(6)30-12-10-24-25(54(30,8)31(58)17-53(23,52)7)11-14-32(50(24,2)3)76-47-43(68)39(64)35(60)27(19-56)73-47)9-13-33(51(4,5)70)77-49-45(78-48-44(69)40(65)36(61)28(20-57)74-48)41(66)37(62)29(75-49)21-71-46-42(67)38(63)34(59)26(18-55)72-46/h10,22-23,25-49,55-70H,9,11-21H2,1-8H3/t22-,23-,25-,26-,27-,28-,29-,30+,31-,32+,33-,34-,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47+,48+,49+,52+,53-,54+/m1/s1
• Isomeric SMILES: C[C@H](CC[C@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[C@H]4CC[C@@]5([C@@]4(C[C@H]([C@@]6([C@H]5CC=C7[C@H]6CC[C@@H](C7(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)O)C)C
• Alternate CAS: 126105-12-2
• Molecular Weight: 1125.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Steroids and steroid derivatives
      • Subclass Steroidal glycosides
        • Level5 Steroidal saponins
          • Level6 Cucurbitacin glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Steroidal glycosides
• Intermediate Tree Nodes: Steroidal saponins
• Direct Parent: Cucurbitacin glycosides
• Alternative Parents: Triterpenoids Cucurbitacins Oligosaccharides 11-alpha-hydroxysteroids 14-alpha-methylsteroids Delta-5-steroids Alkyl glycosides O-glycosyl compounds Oxanes Tertiary alcohols Cyclic alcohols and derivatives Secondary alcohols Polyols Acetals Oxacyclic compounds Hydrocarbon derivatives Primary alcohols
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Cucurbitacin glycoside skeleton - Cucurbitacin skeleton - Triterpenoid - 25-hydroxysteroid - Oligosaccharide - 14-alpha-methylsteroid - Hydroxysteroid - 11-hydroxysteroid - 11-alpha-hydroxysteroid - Delta-5-steroid - Fatty acyl glycoside - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - Oxane - Fatty acyl - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Alcohol - Primary alcohol - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as cucurbitacin glycosides. These are polycyclic compounds containing a carbohydrate derivative glycosidically linked to a curcubitane nucleus.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solubility：DMSO
• Sensitivity: Light sensitive；Moisture sensitive
• Molecular Weight: 1125.300 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 17
• Exact Mass: 1124.6 Da
• Monoisotopic Mass: 1124.6 Da
• Topological Polar Surface Area: 398.000 Ų
• Heavy Atom Count: 78
• Formal Charge: 0
• Complexity: 2030.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 30
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1