[4,8′′:4′′,8′′′′-Terflavan]-3,3′′,3′′′′,4′,4′′′,4′′′′,4′′′′′,5,5′′,5′′′′,7,7′′,7′′′′-tridecol

CAS Registry Number®

25713-96-6

CAS Name

[4,8′′:4′′,8′′′′-Terflavan]-3,3′′,3′′′′,4′,4′′′,4′′′′,4′′′′′,5,5′′,5′′′′,7,7′′,7′′′′-tridecol

Molecular Formula

C45H38O16

Molecular Mass

834.77

Cite this Page

[4,8′′:4′′,8′′′′-Terflavan]-3,3′′,3′′′′,4′,4′′′,4′′′′,4′′′′′,5,5′′,5′′′′,7,7′′,7′′′′-tridecol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25713-96-6 (retrieved 2024-11-22) (CAS RN: 25713-96-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H38O16/c46-20-7-1-17(2-8-20)41-38(56)35(30-24(50)13-23(49)14-29(30)59-41)31-25(51)15-26(52)32-36(39(57)42(60-44(31)32)18-3-9-21(47)10-4-18)33-27(53)16-28(54)34-37(55)40(58)43(61-45(33)34)19-5-11-22(48)12-6-19/h1-16,35-43,46-58H

InChIKey

InChIKey=PXMVHFKJSCHILV-UHFFFAOYSA-N

SMILES

OC1C(C=2C(=C(C(O)=CC2O)C3C=4C(OC(C3O)C5=CC=C(O)C=C5)=CC(O)=CC4O)OC1C6=CC=C(O)C=C6)C7=C8C(C(O)C(O)C(O8)C9=CC=C(O)C=C9)=C(O)C=C7O

Canonical SMILES

OC1=CC=C(C=C1)C2OC=3C=C(O)C=C(O)C3C(C4=C(O)C=C(O)C5=C4OC(C6=CC=C(O)C=C6)C(O)C5C=7C(O)=CC(O)=C8C7OC(C9=CC=C(O)C=C9)C(O)C8O)C2O

Other Names for this Substance

  • [4,8′′:4′′,8′′′′-Terflavan]-3,3′′,3′′′′,4′,4′′′,4′′′′,4′′′′′,5,5′′,5′′′′,7,7′′,7′′′′-tridecol

CAS INSIGHTSTM
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