Siamenoside I

CAS Registry Number®

126105-12-2

CAS Name

Siamenoside I

Molecular Formula

C54H92O24

Molecular Mass

1125.29

Cite this Page

Siamenoside I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126105-12-2 (retrieved 2024-11-22) (CAS RN: 126105-12-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C54H92O24/c1-22(23-15-16-52(6)30-12-10-24-25(54(30,8)31(58)17-53(23,52)7)11-14-32(50(24,2)3)76-47-43(68)39(64)35(60)27(19-56)73-47)9-13-33(51(4,5)70)77-49-45(78-48-44(69)40(65)36(61)28(20-57)74-48)41(66)37(62)29(75-49)21-71-46-42(67)38(63)34(59)26(18-55)72-46/h10,22-23,25-49,55-70H,9,11-21H2,1-8H3/t22-,23-,25-,26-,27-,28-,29-,30+,31-,32+,33-,34-,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47+,48+,49+,52+,53-,54+/m1/s1

InChIKey

InChIKey=XJIPREFALCDWRQ-UYQGGQRHSA-N

SMILES

C[C@]12[C@]([C@@]3(C)[C@](C)(C[C@H]1O)[C@@]([C@@H](CC[C@@H](O[C@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O4)C(C)(C)O)C)(CC3)[H])(CC=C7[C@]2(CC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C7(C)C)[H])[H]

Canonical SMILES

OCC1OC(OCC2OC(OC(CCC(C)C3CCC4(C)C5CC=C6C(CCC(OC7OC(CO)C(O)C(O)C7O)C6(C)C)C5(C)C(O)CC34C)C(O)(C)C)C(OC8OC(CO)C(O)C(O)C8O)C(O)C2O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,9β,10α,11α,24R)-3-(β-D-glucopyranosyloxy)-11,25-dihydroxy-9-methyl-19-norlanost-5-en-24-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→6)]-
  • (3β,9β,10α,11α,24R)-3-(β-D-Glucopyranosyloxy)-11,25-dihydroxy-9-methyl-19-norlanost-5-en-24-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→6)]-β-D-glucopyranoside
  • Siamenoside I

CAS INSIGHTSTM
Hourglass and a clock