Castacrenin A

CAS Registry Number®

173429-79-3

CAS Name

Castacrenin A

Molecular Formula

C27H18O17

Molecular Mass

614.42

Cite this Page

Castacrenin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=173429-79-3 (retrieved 2024-11-25) (CAS RN: 173429-79-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H18O17/c28-2-5(30)20-19(37)24-23(41-20)12-11(27(40)44-24)8(14(32)17(35)16(12)34)7-10-9-6-3(25(38)42-22(9)18(36)15(7)33)1-4(29)13(31)21(6)43-26(10)39/h1,5,19-20,23-24,28-37H,2H2

InChIKey

InChIKey=ORHDVCFHUVVLAU-UHFFFAOYSA-N

SMILES

O=C1C=2C=3C4=C(O1)C(O)=C(O)C=C4C(=O)OC3C(O)=C(O)C2C5=C6C(C7C(OC6=O)C(O)C(C(CO)O)O7)=C(O)C(O)=C5O

Canonical SMILES

O=C1OC=2C(O)=C(O)C(=C3C(=O)OC4=C(O)C(O)=CC1=C4C23)C=5C(O)=C(O)C(O)=C6C5C(=O)OC7C(O)C(OC67)C(O)CO

Other Names for this Substance

  • Castacrenin A
  • [1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 1-[2-(1,2-dihydroxyethyl)-3,3a,5,9b-tetrahydro-3,7,8,9-tetrahydroxy-5-oxo-2H-furo[3,2-c][2]benzopyran-6-yl]-2,3,7,8-tetrahydroxy-, stereoisomer

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