Acutissimin A

CAS Registry Number®

108906-66-7
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CAS Name

Acutissimin A

Molecular Formula

C56H38O31

Molecular Mass

1206.88

Cite this Page

Acutissimin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=108906-66-7 (retrieved 2024-04-26) (CAS RN: 108906-66-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C56H38O31/c57-15-2-1-10(3-17(15)59)47-22(64)4-11-16(58)8-18(60)27(48(11)84-47)32-31-34-30(43(73)46(76)44(31)74)29-33-28(41(71)45(75)42(29)72)26-14(7-21(63)37(67)40(26)70)53(78)83-23-9-82-52(77)12-5-19(61)35(65)38(68)24(12)25-13(6-20(62)36(66)39(25)69)54(79)85-49(23)51(87-56(33)81)50(32)86-55(34)80/h1-3,5-8,22-23,32,47,49-51,57-76H,4,9H2

InChIKey

InChIKey=DRHVFLXLYQESEQ-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%11C(CC(O)C(O%11)C%12=CC(O)=C(O)C=C%12)=C(O)C=C%10O

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=8C(O)=CC(O)=C9C8OC(C%10=CC=C(O)C(O)=C%10)C(O)C9)C2OC(=O)C%11=CC(O)=C(O)C(O)=C%11C%12=C(O)C(O)=C(O)C=C1%12

Other Names for this Substance

  • Acutissimin A
  • Vescalagin, 33-deoxy-33-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-, [33(2R,3S)]-

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