1,7,9,17,19,27,31,37,39,41,45,47,49,55,59-Pentadecahydroxy-5-[8-[5-hydroxy-2-(methylthio)-3,6-dioxo-1,4-cyclohexadien-1-yl]-8-methoxy-5-methyl-1,3-octadien-1-yl]-14,44,48,50,54,56,58-heptamethyl-4,61-dioxabicyclo[55.3.1]henhexaconta-21,23,25,33,35,50,52-heptaene-3,29-dione

CAS Registry Number®

148504-47-6

CAS Name

1,7,9,17,19,27,31,37,39,41,45,47,49,55,59-Pentadecahydroxy-5-[8-[5-hydroxy-2-(methylthio)-3,6-dioxo-1,4-cyclohexadien-1-yl]-8-methoxy-5-methyl-1,3-octadien-1-yl]-14,44,48,50,54,56,58-heptamethyl-4,61-dioxabicyclo[55.3.1]henhexaconta-21,23,25,33,35,50,52-heptaene-3,29-dione

Molecular Formula

C83H132O23S

Molecular Mass

1529.99

Cite this Page

1,7,9,17,19,27,31,37,39,41,45,47,49,55,59-Pentadecahydroxy-5-[8-[5-hydroxy-2-(methylthio)-3,6-dioxo-1,4-cyclohexadien-1-yl]-8-methoxy-5-methyl-1,3-octadien-1-yl]-14,44,48,50,54,56,58-heptamethyl-4,61-dioxabicyclo[55.3.1]henhexaconta-21,23,25,33,35,50,52-heptaene-3,29-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=148504-47-6 (retrieved 2025-04-19) (CAS RN: 148504-47-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C83H132O23S/c1-51-24-19-21-32-63(88)44-68(93)46-69(33-22-20-25-52(2)35-39-75(104-9)77-80(102)72(96)48-73(97)82(77)107-10)105-76(99)50-83(103)49-74(98)57(7)81(106-83)58(8)79(101)55(5)27-23-26-54(4)78(100)56(6)71(95)47-70(94)53(3)36-38-65(90)45-67(92)43-62(87)31-18-14-17-30-61(86)42-66(91)41-60(85)29-16-13-11-12-15-28-59(84)40-64(89)37-34-51/h11-18,20,22-23,25-27,29,31,33,48,51-53,55-65,67-71,74-75,78-79,81,84-90,92-96,98,100-101,103H,19,21,24,28,30,32,34-47,49-50H2,1-10H3

InChIKey

InChIKey=ICRSVVBHIOAZHM-UHFFFAOYSA-N

SMILES

C(CCC(C=CC=CC1OC(=O)CC2(O)OC(C(C)C(O)C2)C(C)C(O)C(C)C=CC=C(C)C(O)C(C)C(O)CC(O)C(C)CCC(O)CC(O)CC(O)C=CC=CCC(O)CC(=O)CC(O)C=CC=CC=CCC(O)CC(O)CCC(C)CCCCC(O)CC(O)C1)C)(OC)C3=C(SC)C(=O)C=C(O)C3=O

Canonical SMILES

O=C1C=C(O)C(=O)C(=C1SC)C(OC)CCC(C=CC=CC2OC(=O)CC3(O)OC(C(C)C(O)C3)C(C)C(O)C(C=CC=C(C)C(O)C(C)C(O)CC(O)C(C)CCC(O)CC(O)CC(O)C=CC=CCC(O)CC(=O)CC(O)C=CC=CC=CCC(O)CC(O)CCC(C)CCCCC(O)CC(O)C2)C)C

Other Names for this Substance

  • 4,61-Dioxabicyclo[55.3.1]henhexaconta-21,23,25,33,35,50,52-heptaene-3,29-dione, 1,7,9,17,19,27,31,37,39,41,45,47,49,55,59-pentadecahydroxy-5-[8-[5-hydroxy-2-(methylthio)-3,6-dioxo-1,4-cyclohexadien-1-yl]-8-methoxy-5-methyl-1,3-octadien-1-yl]-14,44,48,50,54,56,58-heptamethyl-
  • 4,61-Dioxabicyclo[55.3.1]henhexaconta-21,23,25,33,35,50,52-heptaene-3,29-dione, 1,7,9,17,19,27,31,37,39,41,45,47,49,55,59-pentadecahydroxy-5-[8-[5-hydroxy-2-(methylthio)-3,6-dioxo-1,4-cyclohexadien-1-yl]-8-methoxy-5-methyl-1,3-octadienyl]-14,44,48,50,54,56,58-heptamethyl-
  • 1,7,9,17,19,27,31,37,39,41,45,47,49,55,59-Pentadecahydroxy-5-[8-[5-hydroxy-2-(methylthio)-3,6-dioxo-1,4-cyclohexadien-1-yl]-8-methoxy-5-methyl-1,3-octadien-1-yl]-14,44,48,50,54,56,58-heptamethyl-4,61-dioxabicyclo[55.3.1]henhexaconta-21,23,25,33,35,50,52-heptaene-3,29-dione
  • Quinolidomicin A1

CAS INSIGHTSTM
Illustration of microRNA (ribonucleic acid) molecules. MicroRNAs