9H-4,7:20,26-Dimethano-10,14-metheno-20H,26H-tribenzo[e,h,l][1,4,10,14]tetraoxacycloeicosin-9-one, 6,7-dihydro-1,3,12,13,16,17,18,23,25,27-decahydroxy-6-(3,4,5-trihydroxyphenyl)-, (6R,7R,20R,26R,27R)-

CAS Registry Number®

147103-18-2

CAS Name

9H-4,7:20,26-Dimethano-10,14-metheno-20H,26H-tribenzo[e,h,l][1,4,10,14]tetraoxacycloeicosin-9-one, 6,7-dihydro-1,3,12,13,16,17,18,23,25,27-decahydroxy-6-(3,4,5-trihydroxyphenyl)-, (6R,7R,20R,26R,27R)-

Molecular Formula

C37H28O18

Molecular Mass

760.61

Cite this Page

9H-4,7:20,26-Dimethano-10,14-metheno-20H,26H-tribenzo[e,h,l][1,4,10,14]tetraoxacycloeicosin-9-one, 6,7-dihydro-1,3,12,13,16,17,18,23,25,27-decahydroxy-6-(3,4,5-trihydroxyphenyl)-, (6R,7R,20R,26R,27R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=147103-18-2 (retrieved 2024-12-25) (CAS RN: 147103-18-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H28O18/c38-12-5-16(40)25-22(6-12)52-35-14-7-21(45)30(48)32(50)36(14)53-23-4-11(3-20(44)29(23)47)37(51)54-24-8-13-15(39)9-17(41)26(27(25)31(35)49)34(13)55-33(24)10-1-18(42)28(46)19(43)2-10/h1-7,9,24,27,31,33,35,38-50H,8H2

InChIKey

InChIKey=JENRLNPKDHPCHO-UHFFFAOYSA-N

SMILES

OC1C2C=3C4=C(CC(C(O4)C5=CC(O)=C(O)C(O)=C5)OC(=O)C6=CC(OC=7C(C1OC=8C2=C(O)C=C(O)C8)=CC(O)=C(O)C7O)=C(O)C(O)=C6)C(O)=CC3O

Canonical SMILES

O=C1OC2CC3=C(O)C=C(O)C(=C3OC2C4=CC(O)=C(O)C(O)=C4)C5C=6C(O)=CC(O)=CC6OC(C7=CC(O)=C(O)C(O)=C7OC8=CC1=CC(O)=C8O)C5O

Other Names for this Substance

  • 9H-4,7:20,26-Dimethano-10,14-metheno-20H,26H-tribenzo[e,h,l][1,4,10,14]tetraoxacycloeicosin-9-one, 6,7-dihydro-1,3,12,13,16,17,18,23,25,27-decahydroxy-6-(3,4,5-trihydroxyphenyl)-, (6R,7R,20R,26R,27R)-
  • 9H-4,7:20,26-Dimethano-10,14-metheno-20H,26H-tribenzo[e,h,l][1,4,10,14]tetraoxacycloeicosin-9-one, 6,7-dihydro-1,3,12,13,16,17,18,23,25,27-decahydroxy-6-(3,4,5-trihydroxyphenyl)-, [6R-(6R*,7R*,20R*,26R*,27R*)]-
  • Samarangenin A

CAS INSIGHTSTM
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