β-D-Glucopyranoside, (3β,6α,16β,24R)-3-[(2,3-di-O-acetyl-β-D-xylopyranosyl)oxy]-20,24-epoxy-16,25-dihydroxy-9,19-cyclolanostan-6-yl

CAS Registry Number®

91739-00-3

CAS Name

β-D-Glucopyranoside, (3β,6α,16β,24R)-3-[(2,3-di-O-acetyl-β-D-xylopyranosyl)oxy]-20,24-epoxy-16,25-dihydroxy-9,19-cyclolanostan-6-yl

Molecular Formula

C45H72O16

Molecular Mass

869.04

Cite this Page

β-D-Glucopyranoside, (3β,6α,16β,24R)-3-[(2,3-di-O-acetyl-β-D-xylopyranosyl)oxy]-20,24-epoxy-16,25-dihydroxy-9,19-cyclolanostan-6-yl.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=91739-00-3 (retrieved 2024-11-24) (CAS RN: 91739-00-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    185-188 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C45H72O16/c1-21(47)56-33-24(50)19-55-38(34(33)57-22(2)48)60-28-11-13-45-20-44(45)15-14-41(7)35(43(9)12-10-29(61-43)40(5,6)54)23(49)17-42(41,8)27(44)16-25(36(45)39(28,3)4)58-37-32(53)31(52)30(51)26(18-46)59-37/h23-38,46,49-54H,10-20H2,1-9H3/t23-,24+,25-,26+,27-,28-,29+,30+,31-,32+,33-,34+,35-,36-,37+,38-,41+,42-,43-,44-,45+/m0/s1

InChIKey

InChIKey=KXHCYYSIAXMSPA-NKRMGSAOSA-N

SMILES

C[C@]12[C@]3([C@]4([C@]5(C4)[C@@]([C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C3)(C(C)(C)[C@@H](O[C@H]7[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](O)CO7)CC5)[H])CC[C@]1(C)[C@]([C@@H](O)C2)([C@@]8(C)O[C@@H]([C@](C)(C)O)CC8)[H])[H]

Canonical SMILES

O=C(OC1C(O)COC(OC2CCC34CC54CCC6(C)C(C(O)CC6(C)C5CC(OC7OC(CO)C(O)C(O)C7O)C3C2(C)C)C8(OC(CC8)C(O)(C)C)C)C1OC(=O)C)C

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,6α,16β,24R)-3-[(2,3-di-O-acetyl-β-D-xylopyranosyl)oxy]-20,24-epoxy-16,25-dihydroxy-9,19-cyclolanostan-6-yl
  • 9,19-Cyclolanostane, β-D-glucopyranoside deriv.
  • 1H,19H-Cyclopropa[9,10]cyclopenta[a]phenanthrene, β-D-glucopyranoside deriv.
  • Cyclosiversioside B

CAS INSIGHTSTM
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