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Substance Name: Clinopodiside A
RN: 142809-89-0
InChIKey: PCWTUTJLXXOQPR-UHFFFAOYSA-N

Note

  • Isolated from Clinopodium polycephalum.

Molecular Weight

  • 959.125
 
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Names and Synonyms

  • Clinopodiside A

Registry Numbers

CAS Registry Number

  • 142809-89-0

System Generated Number

  • 0142809890

Structure Descriptors

InChI

1S/C48H78O19/c1-43(2)13-14-48(21-52)23(15-43)22-7-8-28-44(3)11-10-30(45(4,20-51)27(44)9-12-46(28,5)47(22,6)16-29(48)53)66-41-38(61)35(58)39(67-42-37(60)34(57)32(55)25(18-50)64-42)26(65-41)19-62-40-36(59)33(56)31(54)24(17-49)63-40/h7-8,24-42,49-61H,9-21H2,1-6H3

InChIKey

PCWTUTJLXXOQPR-UHFFFAOYSA-N

Smiles

O([C@@H]1O[C@@H](CO)[C@@H]([C@@H](O)[C@@H]1O)O)[C@@H]1[C@@H](O[C@@H](O[C@@H]2[C@@]([C@@H]3CC[C@@]4([C@@]5(C[C@@H]([C@@]6(CCC(CC6=C5C=C[C@@H]4[C@@]3(CC2)C)(C)C)CO)O)C)C)(CO)C)[C@@H]([C@@H]1O)O)CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)CO