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Substance Name: Quartromicin A2
RN: 136765-20-3
InChIKey: BSZIRNCDXWFQEV-MNKRQEGKSA-N

Molecular Formula

  • C77-H100-O30

Molecular Weight

  • 1505.607
 
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Names and Synonyms

Results Name

  • Quartromicin A2

Synonyms

  • BU-3889V A2
  • Quartromicin A2

Systematic Name

  • 4a,7:14a,17:26a,29:36a,39-Tetrametheno-6H,16H,28H,38H-tetrabenzo(b,j,t,b1)(1,9,19,27)tetraoxacyclohexatriacontin-12-carboxaldehyde, 2,24-bis((alpha-D-galactopyranosyloxy)methyl)-3,4,8,10a,13,14,18,22a,25,26,30,32a,35,36,40,44a-hexadecahydro-45,46,47,48-tetrahydroxy-34-(hydroxymethyl)-3,10a,13,19,22a,25,32a,35,41,44a-decamethyl-6,8,16,18,28,30,38,40-octaoxo-

Registry Numbers

CAS Registry Number

  • 136765-20-3

System Generated Number

  • 0136765203

Structure Descriptors

InChI

1S/C77H100O30/c1-34-12-10-14-44-20-40(32-100-69-59(90)57(88)55(86)47(30-80)102-69)36(3)21-74(44)61(92)49(65(96)104-74)45(82)15-18-72(8)25-41(28-78)38(5)23-77(72)64(95)52(68(99)107-77)54(85)35(2)13-11-17-71(7)27-43(33-101-70-60(91)58(89)56(87)48(31-81)103-70)39(6)24-75(71)62(93)50(66(97)105-75)46(83)16-19-73(9)26-42(29-79)37(4)22-76(73)63(94)51(53(34)84)67(98)106-76/h10-20,25-27,29,36-39,44-60,65-70,78,80-91H,21-24,28,30-33H2,1-9H3/q-4/b14-10+,17-11+,18-15+,19-16+,34-12+,35-13+/t36?,37?,38?,39?,44?,45?,46?,47-,48-,49?,50?,51?,52?,53?,54?,55+,56+,57+,58+,59-,60-,65?,66?,67?,68?,69+,70+,71?,72?,73?,74?,75?,76?,77?/m1/s1

InChIKey

BSZIRNCDXWFQEV-MNKRQEGKSA-N

Smiles

CC1CC23C(/C=C/C=C(/C(C4C(OC5(C4=O)CC(C(=CC5(/C=C/C(C6C(OC7(C6=O)CC(C(=CC7(/C=C/C=C(/C(C8C(OC9(C8=O)CC(C(=CC9(/C=C/C(C(C2=O)C(O3)[O-])O)C)CO)C)[O-])O)\C)C)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C)[O-])O)C)C=O)C)[O-])O)\C)C=C1CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O