6-O-(3,4,5-Trihydroxybenzoyl)-β-D-glucopyranosyl (3β)-3-(α-L-arabinopyranosyloxy)-19-hydroxyurs-12-en-28-oate

CAS Registry Number®

356785-75-6

CAS Name

6-O-(3,4,5-Trihydroxybenzoyl)-β-D-glucopyranosyl (3β)-3-(α-L-arabinopyranosyloxy)-19-hydroxyurs-12-en-28-oate

Molecular Formula

C48H70O17

Molecular Mass

919.06

Cite this Page

6-O-(3,4,5-Trihydroxybenzoyl)-β-D-glucopyranosyl (3β)-3-(α-L-arabinopyranosyloxy)-19-hydroxyurs-12-en-28-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=356785-75-6 (retrieved 2024-11-08) (CAS RN: 356785-75-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H70O17/c1-22-10-15-48(42(59)65-41-37(57)35(55)34(54)28(63-41)21-61-39(58)23-18-25(49)32(52)26(50)19-23)17-16-45(5)24(38(48)47(22,7)60)8-9-30-44(4)13-12-31(43(2,3)29(44)11-14-46(30,45)6)64-40-36(56)33(53)27(51)20-62-40/h8,18-19,22,27-31,33-38,40-41,49-57,60H,9-17,20-21H2,1-7H3/t22-,27+,28-,29+,30-,31+,33+,34-,35+,36-,37-,38-,40+,41+,44+,45-,46-,47-,48+/m1/s1

InChIKey

InChIKey=MBFMXPAPAAZQQU-BEYSPQKUSA-N

SMILES

C(O[C@@H]1O[C@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]34[C@](C=5[C@@](C)(CC3)[C@@]6(C)[C@](CC5)([C@]7(C)[C@@](CC6)(C(C)(C)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O)CO8)CC7)[H])[H])([C@](C)(O)[C@H](C)CC4)[H]

Canonical SMILES

O=C(OCC1OC(OC(=O)C23CCC(C)C(O)(C)C3C4=CCC5C6(C)CCC(OC7OCC(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2)C(O)C(O)C1O)C8=CC(O)=C(O)C(O)=C8

Other Names for this Substance

  • Urs-12-en-28-oic acid, 3-(α-L-arabinopyranosyloxy)-19-hydroxy-, 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl ester, (3β)-
  • 6-O-(3,4,5-Trihydroxybenzoyl)-β-D-glucopyranosyl (3β)-3-(α-L-arabinopyranosyloxy)-19-hydroxyurs-12-en-28-oate

CAS INSIGHTSTM
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