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Substance Name: Clinoposaponin VIII
RN: 152020-04-7
InChIKey: COJWHUOMQBDPJL-UHFFFAOYSA-N

Note

  • Isolated from Clinopodium micranthum.

Molecular Formula

  • C54-H88-O23

Molecular Weight

  • 1121.2652
 
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Names and Synonyms

Name of Substance

  • Clinoposaponin VIII

Systematic Name

  • beta-D-Galactopyranoside, (3beta,4alpha,16beta)-13,28-epoxy-16-(beta-D-glucopyranosyloxy)-23-hydroxyolean-11-en-3-yl O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-6-deoxy-

Registry Numbers

CAS Registry Number

  • 152020-04-7

System Generated Number

  • 0152020047

Structure Descriptors

InChI

1S/C54H88O24/c1-48(2)13-14-53-22-70-54(29(53)15-48)12-8-28-49(3)10-9-30(50(4,21-59)27(49)7-11-51(28,5)52(54,6)16-31(53)76-44-38(66)35(63)32(60)23(17-55)71-44)75-47-41(69)43(78-46-40(68)37(65)34(62)25(19-57)73-46)42(26(20-58)74-47)77-45-39(67)36(64)33(61)24(18-56)72-45/h8,12,23-47,55-69H,7,9-11,13-22H2,1-6H3

InChIKey

COJWHUOMQBDPJL-UHFFFAOYSA-N

Smiles

CC1(CCC23COC4(C2C1)C=CC5C6(CCC(C(C6CCC5(C4(CC3OC7C(C(C(C(O7)CO)O)O)O)C)C)(C)CO)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)C)C