(Q15427838)

Tangshenoside I (English)

21 September 2016

chemical formula

C₂₉H₄₂O₁₈

1 reference

Tangshenoside I (English)

21 September 2016

canonical SMILES

CC(CC(=O)O)(CC(=O)OCC=CC1=CC(=C(C(=C1)OC)OC2C(C(C(C(O2)CO)O)O)O)OC)OC3C(C(C(C(O3)CO)O)O)O

1 reference

Tangshenoside I (English)

21 September 2016

isomeric SMILES

CC(CC(=O)O)(CC(=O)OC/C=C/C1=CC(=C(C(=C1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

1 reference

Tangshenoside I (English)

InChI=1S/C29H42O18/c1-29(9-18(32)33,47-28-25(40)23(38)21(36)17(12-31)45-28)10-19(34)43-6-4-5-13-7-14(41-2)26(15(8-13)42-3)46-27-24(39)22(37)20(35)16(11-30)44-27/h4-5,7-8,16-17,20-25,27-28,30-31,35-40H,6,9-12H2,1-3H3,(H,32,33)/b5-4+/t16-,17-,20-,21-,22+,23+,24-,25-,27+,28+,29?/m1/s1

21 September 2016

Identifiers

InChI

1 reference

Tangshenoside I (English)

ABKPQICIFGNRAA-YCRPTBBLSA-N

21 September 2016

InChIKey

1 reference

Tangshenoside I (English)

imported from Wikimedia project

21 September 2016

CAS Registry Number

117278-74-7

1 reference

1 reference

Tangshenoside I (English)

21 September 2016

1 reference