[(1R,2S,6S)-2-[2,6-Dihydroxy-4-[6-hydroxy-7-(3-methyl-2-buten-1-yl)-2-benzofuranyl]phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl][2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]methanone

CAS Registry Number®

125882-66-8

CAS Name

[(1R,2S,6S)-2-[2,6-Dihydroxy-4-[6-hydroxy-7-(3-methyl-2-buten-1-yl)-2-benzofuranyl]phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl][2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]methanone

Molecular Formula

C44H44O9

Molecular Mass

716.81

Cite this Page

[(1R,2S,6S)-2-[2,6-Dihydroxy-4-[6-hydroxy-7-(3-methyl-2-buten-1-yl)-2-benzofuranyl]phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl][2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]methanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=125882-66-8 (retrieved 2024-11-24) (CAS RN: 125882-66-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H44O9/c1-22(2)6-10-29-34(46)15-13-31(42(29)51)43(52)40-32(28-12-9-27(45)21-36(28)48)16-24(5)17-33(40)41-37(49)18-26(19-38(41)50)39-20-25-8-14-35(47)30(44(25)53-39)11-7-23(3)4/h6-9,12-15,17-21,32-33,40,45-51H,10-11,16H2,1-5H3/t32-,33+,40-/m1/s1

InChIKey

InChIKey=XMXZFZDVDCIFKB-ZXJKJLPQSA-N

SMILES

C(=O)([C@H]1[C@H](C=C(C)C[C@@H]1C2=C(O)C=C(O)C=C2)C3=C(O)C=C(C=C3O)C=4OC=5C(C4)=CC=C(O)C5CC=C(C)C)C6=C(O)C(CC=C(C)C)=C(O)C=C6

Canonical SMILES

O=C(C1=CC=C(O)C(=C1O)CC=C(C)C)C2C(C=C(C)CC2C3=CC=C(O)C=C3O)C4=C(O)C=C(C=C4O)C=5OC6=C(C=CC(O)=C6CC=C(C)C)C5

Other Names for this Substance

  • Methanone, [(1R,2S,6S)-2-[2,6-dihydroxy-4-[6-hydroxy-7-(3-methyl-2-buten-1-yl)-2-benzofuranyl]phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl][2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-
  • Methanone, [2-[2,6-dihydroxy-4-[6-hydroxy-7-(3-methyl-2-butenyl)-2-benzofuranyl]phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl][2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-, [1R-(1α,2α,6β)]-
  • Methanone, [(1R,2S,6S)-2-[2,6-dihydroxy-4-[6-hydroxy-7-(3-methyl-2-butenyl)-2-benzofuranyl]phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl][2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-
  • [(1R,2S,6S)-2-[2,6-Dihydroxy-4-[6-hydroxy-7-(3-methyl-2-buten-1-yl)-2-benzofuranyl]phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl][2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]methanone
  • Mulberrofuran T

CAS INSIGHTSTM
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