kaji-ichigoside F1 | CAS No. 95298-47-8

kaji-ichigoside F1

Basic Information

CAS Number

95298-47-8

Molecular Formula

C36H58O10

Molecular Weight

650.85 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

230-232 ºC (chloroform methanol )

Density

1.31±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (6.51E-4 g/L) (25 ºC),

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)OC6C(C(C(C(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-FUZXVMJXSA-N

LogP

2.4337000000000018

Topological Polar Surface Area

177.14 Ų

Hydrogen Bond Donor/Acceptor

7 / 10

Complexity

1250

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

  • 2alpha,3alpha,19alpha-trihydroxyurs-12-en-28-oic acid 28-beta-D-glucopyranosyl ester
  • 2alpha,3alpha,19alpha-trihydroxyurs-12-en-28-oic acid beta-D-glucopyranosyl ester
  • 2alpha,3alpha,19alpha-trihydroxy-ursolic acid-28-O-bet
  • euscaphic acid glucoside ester
  • Kaji-ichigoside F1
  • Kajiichigoside F1
  • 1-O-[(2α,3α)-2,3,19-Trihydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose
  • 28-O-beta-D-Glucopyranosyleuscaphic acid
  • 2alpha,3alpha,19alpha-Trihydroxylurs-12-en-28-oic acid-28-O-beta-D-glucopyranoside
  • [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-1,10,11-trihydroxy-
  • 28-O-β-D-Glucopyranosyleuscaphic acid
  • D
  • 2α,3α,19α-Trihydroxylurs-12-en-28-oic acid-28-O-β-D-glucopyranoside
  • 2α,3α,19α-Trihydroxyurs-12-en-28-oic acid 28-D-glucopyranoside
  • 2α,3α,19α-Trihydroxyurs-12-en-28-oic acid ester glucoside
  • Euscaphic acid 28-O-β-D-glucopyranoside
  • 2α,3α,19α-Trihydroxyurs-12-en-28-oic acid ester glucoside,Euscaphic acid 28-O-β-D-glucopyranoside
  • DA-64703
  • MS-30964
  • CS-0019624
  • [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,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
  • HY-N2297
  • DTXSID201316292
  • AKOS037515255
  • KajiichigosideF1
  • 95298-47-8
  • CHEMBL4128666
  • kaji-ichigoside F1
  • (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,2R,4aS,6aS,6bR,8aR,10S,11R,12aR,12bR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

MDL Number

MFCD09970924

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