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Substance Name: Balanitoside
RN: 145854-02-0
InChIKey: RPYHJEFMMXMMHG-UHFFFAOYSA-N

Note

  • From Balanites aegyptiaca.

Molecular Formula

  • C51-H84-O23

Molecular Weight

  • 1065.2016
 
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Names and Synonyms

Name of Substance

  • Balanitoside

Synonym

  • 26-O-beta-D-Glucopyranosyl-3beta,22,26-trihydroxyfurost-5-ene 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside

Systematic Name

  • beta-D-Glucopyranoside, (3beta,25R)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-4)-

Registry Numbers

CAS Registry Number

  • 145854-02-0

System Generated Number

  • 0145854020

Structure Descriptors

InChI

1S/C51H84O23/c1-20(19-66-45-39(61)37(59)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-40(62)36(58)33(55)22(3)67-46)42(64)43(31(18-54)71-48)72-47-41(63)38(60)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3

InChIKey

RPYHJEFMMXMMHG-UHFFFAOYSA-N

Smiles

CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O