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Substance Name: Acutissimin A
RN: 108906-66-7
InChIKey: DRHVFLXLYQESEQ-DHGKJAGISA-N

Molecular Formula

  • C56-H38-O31

Molecular Weight

  • 1206.8852
 
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Names and Synonyms

Synonym

  • Acutissimin A

Systematic Name

  • Acutissimin A

Registry Numbers

CAS Registry Number

  • 108906-66-7

System Generated Number

  • 0108906667

Structure Descriptors

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/t22-,23+,32+,47+,49+,50-,51-/m0/s1

InChIKey

DRHVFLXLYQESEQ-DHGKJAGISA-N

Smiles

c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(c(c3O2)[C@@H]4c5c6c(c(c(c5O)O)O)-c7c8c(c(c(c7O)O)O)-c9c(cc(c(c9O)O)O)C(=O)O[C@@H]1COC(=O)c2cc(c(c(c2-c2c(cc(c(c2O)O)O)C(=O)O[C@H]1[C@@H]([C@H]4OC6=O)OC8=O)O)O)O)O)O)O)O)O