Grandinin

CAS Registry Number®

115166-32-0

CAS Name

Grandinin

Molecular Formula

C46H34O30

Molecular Mass

1066.74

Cite this Page

Grandinin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=115166-32-0 (retrieved 2024-11-24) (CAS RN: 115166-32-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C46H34O30/c47-4-12(51)27(55)36(64)35(63)23-20-22-19(33(61)38(66)34(20)62)18-21-17(31(59)37(65)32(18)60)16-8(3-11(50)26(54)30(16)58)43(68)73-13-5-72-42(67)6-1-9(48)24(52)28(56)14(6)15-7(2-10(49)25(53)29(15)57)44(69)74-39(13)41(76-46(21)71)40(23)75-45(22)70/h1-3,12-13,23,27,36,39-41,47-62,64-66H,4-5H2

InChIKey

InChIKey=BQQCUOQRZALHLB-UHFFFAOYSA-N

SMILES

O=C1C=2C=3C=4C5=C(C=6C(C(=O)OC7C(C(C(C(C(C(C(C(CO)O)O)O)=O)C2C(O)=C(O)C3O)O1)OC5=O)OC(=O)C=8C(C=9C(C(=O)OC7)=CC(O)=C(O)C9O)=C(O)C(O)=C(O)C8)=CC(O)=C(O)C6O)C(O)=C(O)C4O

Canonical SMILES

O=C1OCC2OC(=O)C3=CC(O)=C(O)C(O)=C3C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C6OC(=O)C7=C5C(O)=C(O)C(O)=C7C6C(=O)C(O)C(O)C(O)CO)C2OC(=O)C8=CC(O)=C(O)C(O)=C8C9=C(O)C(O)=C(O)C=C19

Other Names for this Substance

  • Grandinin
  • Vescalagin, 33-deoxy-33-L-lyxonoyl-

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