β-D-Galactopyranoside, (1S,3′R,4′R,5′R,6′R)-3′,4′,5′,6′-tetrahydro-3′,5,7-trihydroxy-4′-[[(2E,4E,8E,10E)-7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraen-1-yl]oxy]-6′-(hydroxymethyl)spiro[isobenzofuran-1(3H),2′-[2H]pyran]-5′-yl, 6-[(2E,4Z,6E)-8-hydroxy-2,4,6-decatrienoate]

CAS Registry Number®

61032-80-2

CAS Name

β-D-Galactopyranoside, (1S,3′R,4′R,5′R,6′R)-3′,4′,5′,6′-tetrahydro-3′,5,7-trihydroxy-4′-[[(2E,4E,8E,10E)-7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraen-1-yl]oxy]-6′-(hydroxymethyl)spiro[isobenzofuran-1(3H),2′-[2H]pyran]-5′-yl, 6-[(2E,4Z,6E)-8-hydroxy-2,4,6-decatrienoate]

Molecular Formula

C47H64O17

Molecular Mass

901.00

Cite this Page

β-D-Galactopyranoside, (1S,3′R,4′R,5′R,6′R)-3′,4′,5′,6′-tetrahydro-3′,5,7-trihydroxy-4′-[[(2E,4E,8E,10E)-7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraen-1-yl]oxy]-6′-(hydroxymethyl)spiro[isobenzofuran-1(3H),2′-[2H]pyran]-5′-yl, 6-[(2E,4Z,6E)-8-hydroxy-2,4,6-decatrienoate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=61032-80-2 (retrieved 2024-12-22) (CAS RN: 61032-80-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H64O17/c1-5-28(3)17-11-9-12-18-29(4)33(51)20-14-10-16-22-38(54)62-44-43(35(25-48)64-47(45(44)58)39-30(26-60-47)23-32(50)24-34(39)52)63-46-42(57)41(56)40(55)36(61-46)27-59-37(53)21-15-8-7-13-19-31(49)6-2/h7-10,12-16,18-19,21-24,28,31,33,35-36,40-46,48-52,55-58H,5-6,11,17,20,25-27H2,1-4H3

InChIKey

InChIKey=UJLFRJFJTPPIOK-UHFFFAOYSA-N

SMILES

OC1C2(C=3C(CO2)=CC(O)=CC3O)OC(CO)C(OC4OC(COC(C=CC=CC=CC(CC)O)=O)C(O)C(O)C4O)C1OC(C=CC=CCC(C(=CC=CCCC(CC)C)C)O)=O

Canonical SMILES

O=C(OCC1OC(OC2C(OC3(OCC=4C=C(O)C=C(O)C43)C(O)C2OC(=O)C=CC=CCC(O)C(=CC=CCCC(C)CC)C)CO)C(O)C(O)C1O)C=CC=CC=CC(O)CC

Other Names for this Substance

  • β-D-Galactopyranoside, (1S,3′R,4′R,5′R,6′R)-3′,4′,5′,6′-tetrahydro-3′,5,7-trihydroxy-4′-[[(2E,4E,8E,10E)-7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraen-1-yl]oxy]-6′-(hydroxymethyl)spiro[isobenzofuran-1(3H),2′-[2H]pyran]-5′-yl, 6-[(2E,4Z,6E)-8-hydroxy-2,4,6-decatrienoate]
  • α-D-Glucopyranose, 1,16-anhydro-1-C-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-4-O-[6-O-(8-hydroxy-1-oxo-2,4,6-decatrienyl)-β-D-galactopyranosyl]-, 3-(7-hydroxy-8,14-dimethyl-2,4,8,10-hexadecatetraenoate)
  • β-D-Galactopyranoside, (1S,3′R,4′R,5′R,6′R)-3′,4′,5′,6′-tetrahydro-3′,5,7-trihydroxy-4′-[[(2E,4E,8E,10E)-7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl]oxy]-6′-(hydroxymethyl)spiro[isobenzofuran-1(3H),2′-[2H]pyran]-5′-yl, 6-[(2E,4Z,6E)-8-hydroxy-2,4,6-decatrienoate]
  • Papulacandin B

Deleted or Replaced CAS Registry Numbers

63436-33-9

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.