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Substance Name: Clemontanoside B
RN: 129932-83-8
InChIKey: HNMWWBLBQZSWGD-UHFFFAOYSA-N

Molecular Formula

  • C54-H88-O22

Molecular Weight

  • 1089.27
 
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Names and Synonyms

Results Name

  • Clemontanoside B

Synonym

  • Clemontanoside B

Systematic Name

  • Olean-12-en-28-oic acid, 3-(beta-D-glucopyranosyloxy)-, O-6-deoxy-alpha-L-mannopyranosyl-(1-6)-O-(beta-D-glucopyranosyl-(1-2))-beta-D-glucopyranosyl ester, (3beta)-

Registry Numbers

CAS Registry Number

  • 129932-83-8

System Generated Number

  • 0129932838

Structure Descriptors

InChI

1S/C54H88O22/c1-23-32(57)36(61)40(65)44(70-23)69-22-28-35(60)39(64)43(75-46-42(67)38(63)34(59)27(21-56)72-46)47(73-28)76-48(68)54-17-15-49(2,3)19-25(54)24-9-10-30-51(6)13-12-31(74-45-41(66)37(62)33(58)26(20-55)71-45)50(4,5)29(51)11-14-53(30,8)52(24,7)16-18-54/h9,23,25-47,55-67H,10-22H2,1-8H3

InChIKey

HNMWWBLBQZSWGD-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H]([C@@H]([C@@H]([C@@H]1O[C@@H]1C(C)(C)[C@@H]2[C@@](CC1)([C@@H]1CC=C3[C@@]([C@@]1(CC2)C)(CC[C@@]1([C@@H]3CC(CC1)(C)C)C(O[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)CO)=O)C)C)O)O)O)CO