Benzoic acid, 3,4,5-trihydroxy-, 7-[3,4,8,15,18,18a-hexahydro-3,5,9,11,12,13-hexahydroxy-8,15,20-trioxo-2-(3,4,5-trihydroxyphenyl)-17H-18,7a,10-(epoxyethanylylidene)-2H-pyrano[2′,3′:4,5]benzofuro[3,2-e][2]benzoxacycloundecin-17-yl]-5,8,9,11-tetrahydro-1,2,3,13,14,15-hexahydroxy-5,11-dioxo-7H-dibenzo[g,i][1,5]dioxacycloundecin-8-yl ester

CAS Registry Number®

145826-28-4

CAS Name

Benzoic acid, 3,4,5-trihydroxy-, 7-[3,4,8,15,18,18a-hexahydro-3,5,9,11,12,13-hexahydroxy-8,15,20-trioxo-2-(3,4,5-trihydroxyphenyl)-17H-18,7a,10-(epoxyethanylylidene)-2H-pyrano[2′,3′:4,5]benzofuro[3,2-e][2]benzoxacycloundecin-17-yl]-5,8,9,11-tetrahydro-1,2,3,13,14,15-hexahydroxy-5,11-dioxo-7H-dibenzo[g,i][1,5]dioxacycloundecin-8-yl ester

Molecular Formula

C55H38O31

Molecular Mass

1194.87

Cite this Page

Benzoic acid, 3,4,5-trihydroxy-, 7-[3,4,8,15,18,18a-hexahydro-3,5,9,11,12,13-hexahydroxy-8,15,20-trioxo-2-(3,4,5-trihydroxyphenyl)-17H-18,7a,10-(epoxyethanylylidene)-2H-pyrano[2′,3′:4,5]benzofuro[3,2-e][2]benzoxacycloundecin-17-yl]-5,8,9,11-tetrahydro-1,2,3,13,14,15-hexahydroxy-5,11-dioxo-7H-dibenzo[g,i][1,5]dioxacycloundecin-8-yl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=145826-28-4 (retrieved 2024-11-05) (CAS RN: 145826-28-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C55H38O31/c56-17-9-26-31(45-13(17)5-25(64)44(82-45)11-1-18(57)35(65)19(58)2-11)33-47-48(85-53(78)16-8-24(63)39(69)42(72)30(16)32-34(54(79)84-47)55(33,86-26)49(74)43(32)73)46-27(81-50(75)12-3-20(59)36(66)21(60)4-12)10-80-51(76)14-6-22(61)37(67)40(70)28(14)29-15(52(77)83-46)7-23(62)38(68)41(29)71/h1-4,6-9,25,27,33-34,44,46-48,56-73H,5,10H2

InChIKey

InChIKey=NIFMLTJCPJDRJC-UHFFFAOYSA-N

SMILES

O=C1C23C(C=4C(O2)=CC(O)=C5C4OC(C(O)C5)C6=CC(O)=C(O)C(O)=C6)C7C(OC(=O)C=8C(C(C3C(=O)O7)=C1O)=C(O)C(O)=C(O)C8)C9C(OC(=O)C%10=CC(O)=C(O)C(O)=C%10)COC(=O)C=%11C(C=%12C(C(=O)O9)=CC(O)=C(O)C%12O)=C(O)C(O)=C(O)C%11

Canonical SMILES

O=C(OC1COC(=O)C=2C=C(O)C(O)=C(O)C2C3=C(O)C(O)=C(O)C=C3C(=O)OC1C4OC(=O)C=5C=C(O)C(O)=C(O)C5C6=C(O)C(=O)C78OC9=CC(O)=C%10C(OC(C%11=CC(O)=C(O)C(O)=C%11)C(O)C%10)=C9C8C4OC(=O)C67)C%12=CC(O)=C(O)C(O)=C%12

Other Names for this Substance

  • Benzoic acid, 3,4,5-trihydroxy-, 7-[3,4,8,15,18,18a-hexahydro-3,5,9,11,12,13-hexahydroxy-8,15,20-trioxo-2-(3,4,5-trihydroxyphenyl)-17H-18,7a,10-(epoxyethanylylidene)-2H-pyrano[2′,3′:4,5]benzofuro[3,2-e][2]benzoxacycloundecin-17-yl]-5,8,9,11-tetrahydro-1,2,3,13,14,15-hexahydroxy-5,11-dioxo-7H-dibenzo[g,i][1,5]dioxacycloundecin-8-yl ester
  • 17H-18,7a,10-(Epoxyethanylylidene)-2H-pyrano[2′,3′:4,5]benzofuro[3,2-e][2]benzoxacycloundecin, benzoic acid deriv.
  • 7H-Dibenzo[g,i][1,5]dioxacycloundecin, benzoic acid deriv.
  • Psidinin C

CAS INSIGHTSTM
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