Selligueain A

CAS Registry Number®

152378-18-2
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CAS Name

Selligueain A

Molecular Formula

C45H36O15

Molecular Mass

816.76

Cite this Page

Selligueain A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=152378-18-2 (retrieved 2024-04-26) (CAS RN: 152378-18-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H36O15/c46-21-7-1-18(2-8-21)40-30(54)15-25-26(50)16-28(52)34(42(25)57-40)37-35-29(53)17-32-36(43(35)58-41(39(37)55)19-3-9-22(47)10-4-19)38-33-27(51)13-24(49)14-31(33)59-45(60-32,44(38)56)20-5-11-23(48)12-6-20/h1-14,16-17,30,37-41,44,46-56H,15H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1

InChIKey

InChIKey=PMDYNLFGCCRGRX-HMQYECKYSA-N

SMILES

O[C@H]1[C@@]2(OC3=C([C@]1(C=4C(O2)=CC(O)=CC4O)[H])C5=C(C(O)=C3)[C@@H]([C@@H](O)[C@H](O5)C6=CC=C(O)C=C6)C7=C8C(C[C@H](O)[C@H](O8)C9=CC=C(O)C=C9)=C(O)C=C7O)C%10=CC=C(O)C=C%10

Canonical SMILES

OC1=CC=C(C=C1)C2OC=3C(=C(O)C=C(O)C3C4C5=C(O)C=C6OC7(OC=8C=C(O)C=C(O)C8C(C6=C5OC(C9=CC=C(O)C=C9)C4O)C7O)C%10=CC=C(O)C=C%10)CC2O

Other Names for this Substance

  • 8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol, 4-[(2R,3S)-3,4-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-8-yl]-3,4-dihydro-2,8-bis(4-hydroxyphenyl)-, (2R,3R,4S,8S,14R,15R)-
  • 8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol, 4-[3,4-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-8-yl]-3,4-dihydro-2,8-bis(4-hydroxyphenyl)-, [2R-[2α,3α,4β(2R*,3S*),8β,14β,15R*]]-
  • (2R,3R,4S,8S,14R,15R)-4-[(2R,3S)-3,4-Dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-8-yl]-3,4-dihydro-2,8-bis(4-hydroxyphenyl)-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol
  • Selligueain A
  • Selligueain

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