β-D-Glucopyranoside, (3β,25R)-spirost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→2)]-
CAS Registry Number®
CAS Name
β-D-Glucopyranoside, (3β,25R)-spirost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→2)]-Molecular Formula
C51H82O22Molecular Mass
1047.18Cite this Page
β-D-Glucopyranoside, (3β,25R)-spirost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→2)]-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=94696-62-5 (retrieved ) (CAS RN: 94696-62-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C51H82O22/c1-20-8-13-51(64-19-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)66-48-44(43(35(57)30(17-53)68-48)71-45-39(61)36(58)33(55)22(3)65-45)72-47-41(63)38(60)42(31(18-54)69-47)70-46-40(62)37(59)34(56)29(16-52)67-46/h6,20-22,24-48,52-63H,7-19H2,1-5H3
InChIKey
InChIKey=AENUWGNJANYUDQ-UHFFFAOYSA-N
SMILES
CC12C3C(CC1C4C(CC2)C5(C)C(=CC4)CC(OC6C(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(OC9C(O)C(O)C(O)C(C)O9)C(O)C(CO)O6)CC5)OC%10(C3C)CCC(C)CO%10
Canonical SMILES
OCC1OC(OC2C(O)C(O)C(OC2CO)OC3C(OC4CC5=CCC6C(CCC7(C)C6CC8OC9(OCC(C)CC9)C(C)C87)C5(C)CC4)OC(CO)C(O)C3OC%10OC(C)C(O)C(O)C%10O)C(O)C(O)C1O
Other Names for this Substance
- β-D-Glucopyranoside, (3β,25R)-spirost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→2)]-
- Spirostan, β-D-glucopyranoside deriv.
- Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-[2H]pyran], β-D-glucopyranoside deriv.
- Melongoside K
- Melangoside K
Deleted or Replaced CAS Registry Numbers
96510-81-5