Putranjivain A

CAS Registry Number®

131959-62-1

CAS Name

Putranjivain A

Molecular Formula

C46H36O31

Molecular Mass

1084.76

Cite this Page

Putranjivain A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=131959-62-1 (retrieved 2024-11-05) (CAS RN: 131959-62-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C46H36O31/c47-13-1-9(2-14(48)23(13)53)35(60)74-39-32-31-29(19(70-39)7-68-36(61)10-3-15(49)24(54)27(57)20(10)21-11(37(62)71-31)4-16(50)25(55)28(21)58)73-41(64)42-8-43(65)46(67)45(66,76-40(42)44(77-43)34(59)18(52)6-69-44)33(42)22-12(38(63)72-32)5-17(51)26(56)30(22)75-46/h1-5,18-19,29,31-34,39-40,47-59,65-67H,6-8H2

InChIKey

InChIKey=KCGMOSICDALEEK-UHFFFAOYSA-N

SMILES

O=C1C23C4C5(O)OC2C6(OC(O)(C3)C5(O)OC=7C4=C(C(=O)OC8C9C(O1)C(OC8OC(=O)C%10=CC(O)=C(O)C(O)=C%10)COC(=O)C=%11C(C=%12C(C(=O)O9)=CC(O)=C(O)C%12O)=C(O)C(O)=C(O)C%11)C=C(O)C7O)C(O)C(O)CO6

Canonical SMILES

O=C1OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C4OC(=O)C5=CC(O)=C(O)C=6OC7(O)C8(O)OC9(OCC(O)C9O)C%10OC7(O)C(C65)C%10(C(=O)OC2C4OC(=O)C%11=CC(O)=C(O)C(O)=C%11C=%12C(O)=C(O)C(O)=CC1%12)C8

Other Names for this Substance

  • Putranjivain A
  • Spiro[23,9-(epoxymethano)-3,2,27-(epoxymetheno)-2H,9H,25H-benzo[i]pyrano[3′′,4′′:2′,3′]furo[3′,4′:8,9][2,6]benzodioxacycloundecino[4,5-c][2,7]benzodioxacyclododecin-29(29aH),2′(3′H)-furan], putranjivain A deriv.