Castacrenin D

CAS Registry Number®

200435-28-5
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CAS Name

Castacrenin D

Molecular Formula

C48H30O30

Molecular Mass

1086.73

Cite this Page

Castacrenin D.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=200435-28-5 (retrieved 2024-09-20) (CAS RN: 200435-28-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H30O30/c49-10-1-6(43(67)68)15(30(57)26(10)53)23-22-25-21(36(63)39(66)37(22)64)20-24-19(34(61)38(65)35(20)62)18-9(4-13(52)29(56)33(18)60)45(70)75-14-5-74-44(69)7-2-11(50)27(54)31(58)16(7)17-8(3-12(51)28(55)32(17)59)46(71)76-40(14)42(78-48(24)73)41(23)77-47(25)72/h1-4,14,23,40-42,49-66H,5H2,(H,67,68)

InChIKey

InChIKey=VARQYHJHQAIRAT-UHFFFAOYSA-N

SMILES

OC=1C=2C(C3C4C5C(OC(=O)C=6C(C7=C(C(C(C2C(=O)O3)=C(O)C1O)=C(O)C(O)=C7O)C(=O)O4)=C(O)C(O)=C(O)C6)COC(=O)C=8C(C=9C(C(=O)O5)=CC(O)=C(O)C9O)=C(O)C(O)=C(O)C8)C%10=C(C(O)=O)C=C(O)C(O)=C%10O

Canonical SMILES

O=C(O)C1=CC(O)=C(O)C(O)=C1C2C3=C(O)C(O)=C(O)C4=C3C(=O)OC2C5OC(=O)C=6C(=C(O)C(O)=C(O)C64)C7=C(O)C(O)=C(O)C=C7C(=O)OC8COC(=O)C9=CC(O)=C(O)C(O)=C9C%10=C(O)C(O)=C(O)C=C%10C(=O)OC85

Other Names for this Substance

  • Castacrenin D