β-D-Glucopyranoside, (3β,25R)-3-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-xylopyranosyl-(1→2)]-O-β-D-xylopyranosyl-(1→2)-β-D-xylopyranosyl)oxy]-22-hydroxyfurost-5-en-26-yl

CAS Registry Number®

212369-13-6
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CAS Name

β-D-Glucopyranoside, (3β,25R)-3-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-xylopyranosyl-(1→2)]-O-β-D-xylopyranosyl-(1→2)-β-D-xylopyranosyl)oxy]-22-hydroxyfurost-5-en-26-yl

Molecular Formula

C60H98O29

Molecular Mass

1283.40

Cite this Page

β-D-Glucopyranoside, (3β,25R)-3-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-xylopyranosyl-(1→2)]-O-β-D-xylopyranosyl-(1→2)-β-D-xylopyranosyl)oxy]-22-hydroxyfurost-5-en-26-yl.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=212369-13-6 (retrieved 2024-09-20) (CAS RN: 212369-13-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C60H98O29/c1-22(18-77-52-47(74)44(71)41(68)34(17-61)84-52)9-14-60(76)23(2)36-33(89-60)16-30-28-8-7-26-15-27(10-12-58(26,5)29(28)11-13-59(30,36)6)83-55-49(40(67)32(63)20-79-55)88-56-50(86-53-46(73)39(66)31(62)19-78-53)42(69)35(21-80-56)85-57-51(45(72)38(65)25(4)82-57)87-54-48(75)43(70)37(64)24(3)81-54/h7,22-25,27-57,61-76H,8-21H2,1-6H3/t22-,23+,24+,25+,27+,28-,29+,30+,31-,32-,33+,34-,35-,36+,37+,38+,39+,40+,41-,42+,43-,44+,45-,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,58+,59+,60?/m1/s1

InChIKey

InChIKey=HPAZMTUJBDFPDN-KQDSQWJISA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(=CC3)C[C@@H](O[C@H]5[C@H](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)CO7)[C@@H](O)[C@H](O[C@H]8[C@H](O[C@H]9[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O9)[C@H](O)[C@@H](O)[C@H](C)O8)CO6)[C@@H](O)[C@H](O)CO5)CC4)[H])[H])(C[C@]%10([C@@]2([C@H](C)C(CC[C@H](CO[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)C)(O)O%10)[H])[H])[H]

Canonical SMILES

OCC1OC(OCC(C)CCC2(O)OC3CC4C5CC=C6CC(OC7OCC(O)C(O)C7OC8OCC(OC9OC(C)C(O)C(O)C9OC%10OC(C)C(O)C(O)C%10O)C(O)C8OC%11OCC(O)C(O)C%11O)CCC6(C)C5CCC4(C)C3C2C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,25R)-3-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-xylopyranosyl-(1→2)]-O-β-D-xylopyranosyl-(1→2)-β-D-xylopyranosyl)oxy]-22-hydroxyfurost-5-en-26-yl
  • Balanitesin
  • (+)-Balanitesin