8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol, 2,8-bis(3,4-dihydroxyphenyl)-12-[(2R,3R,4R)-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-4-yl]-3,4-dihydro-, (2R,3S,8S,14R,15R)-

CAS Registry Number®

114637-81-9

CAS Name

8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol, 2,8-bis(3,4-dihydroxyphenyl)-12-[(2R,3R,4R)-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-4-yl]-3,4-dihydro-, (2R,3S,8S,14R,15R)-

Molecular Formula

C45H36O18

Molecular Mass

864.76

Cite this Page

8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol, 2,8-bis(3,4-dihydroxyphenyl)-12-[(2R,3R,4R)-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-4-yl]-3,4-dihydro-, (2R,3S,8S,14R,15R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=114637-81-9 (retrieved 2024-11-25) (CAS RN: 114637-81-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H36O18/c46-18-10-27(54)33-30(11-18)60-42(16-2-5-21(48)25(52)8-16)40(58)37(33)34-28(55)14-31-35(39(34)57)38-36-32(63-45(62-31,44(38)59)17-3-6-22(49)26(53)9-17)13-23(50)19-12-29(56)41(61-43(19)36)15-1-4-20(47)24(51)7-15/h1-11,13-14,29,37-38,40-42,44,46-59H,12H2/t29-,37+,38+,40+,41+,42+,44+,45-/m0/s1

InChIKey

InChIKey=SSOWHRNCDFFKAK-RMQXTYCQSA-N

SMILES

O[C@H]1[C@@]2(OC3=C([C@]1(C=4C(O2)=CC(O)=C(C4O)[C@H]5C=6C(O[C@@H]([C@@H]5O)C7=CC(O)=C(O)C=C7)=CC(O)=CC6O)[H])C8=C(C(O)=C3)C[C@H](O)[C@H](O8)C9=CC(O)=C(O)C=C9)C%10=CC(O)=C(O)C=C%10

Canonical SMILES

OC=1C=C(O)C2=C(OC(C3=CC=C(O)C(O)=C3)C(O)C2C4=C(O)C=C5OC6(OC7=CC(O)=C8C(OC(C9=CC=C(O)C(O)=C9)C(O)C8)=C7C(C5=C4O)C6O)C%10=CC=C(O)C(O)=C%10)C1

Other Names for this Substance

  • 8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol, 2,8-bis(3,4-dihydroxyphenyl)-12-[(2R,3R,4R)-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-4-yl]-3,4-dihydro-, (2R,3S,8S,14R,15R)-
  • 8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol, 2,8-bis(3,4-dihydroxyphenyl)-12-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-4-yl]-3,4-dihydro-, [2R-[2α,3β,8α,12(2R*,3R*,4R*),14β,15R*]]-
  • Peanut trimer A
  • Peanut procyanidin D

Deleted or Replaced CAS Registry Numbers

2242961-56-2

CAS INSIGHTSTM
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