[4,6′:8′,4′′-Ter-2H-1-benzopyran]-3,3′,3′′,5′,7,7′,7′′-heptol, 2′-(3,4-dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro-2,2′′-bis(3,4,5-trihydroxyphenyl)-, [2R-[2α,3β,4α[2′R*,3′S*,8′(2′′R*,3′′S*,4′′S*)]]]-

CAS Registry Number®

85820-29-7

CAS Name

[4,6′:8′,4′′-Ter-2H-1-benzopyran]-3,3′,3′′,5′,7,7′,7′′-heptol, 2′-(3,4-dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro-2,2′′-bis(3,4,5-trihydroxyphenyl)-, [2R-[2α,3β,4α[2′R*,3′S*,8′(2′′R*,3′′S*,4′′S*)]]]-

Molecular Formula

C45H38O18

Molecular Mass

866.77

Cite this Page

[4,6′:8′,4′′-Ter-2H-1-benzopyran]-3,3′,3′′,5′,7,7′,7′′-heptol, 2′-(3,4-dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro-2,2′′-bis(3,4,5-trihydroxyphenyl)-, [2R-[2α,3β,4α[2′R*,3′S*,8′(2′′R*,3′′S*,4′′S*)]]]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85820-29-7 (retrieved 2024-11-14) (CAS RN: 85820-29-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H38O18/c46-18-2-4-20-30(12-18)61-43(16-8-25(50)37(56)26(51)9-16)40(59)32(20)34-36(55)22-14-29(54)42(15-1-6-23(48)24(49)7-15)63-45(22)35(39(34)58)33-21-5-3-19(47)13-31(21)62-44(41(33)60)17-10-27(52)38(57)28(53)11-17/h1-13,29,32-33,40-44,46-60H,14H2/t29-,32-,33-,40-,41-,42+,43+,44+/m0/s1

InChIKey

InChIKey=QZNRDKYJASOYMZ-BLBVDZAISA-N

SMILES

OC=1C(=C2C(=C(O)C1[C@@H]3C=4C(O[C@@H]([C@H]3O)C5=CC(O)=C(O)C(O)=C5)=CC(O)=CC4)C[C@H](O)[C@H](O2)C6=CC(O)=C(O)C=C6)[C@@H]7C=8C(O[C@@H]([C@H]7O)C9=CC(O)=C(O)C(O)=C9)=CC(O)=CC8

Canonical SMILES

OC1=CC=C2C(OC(C3=CC(O)=C(O)C(O)=C3)C(O)C2C4=C(O)C5=C(OC(C6=CC=C(O)C(O)=C6)C(O)C5)C(=C4O)C7C8=CC=C(O)C=C8OC(C9=CC(O)=C(O)C(O)=C9)C7O)=C1

Other Names for this Substance

  • [4,6′:8′,4′′-Ter-2H-1-benzopyran]-3,3′,3′′,5′,7,7′,7′′-heptol, 2′-(3,4-dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro-2,2′′-bis(3,4,5-trihydroxyphenyl)-, [2R-[2α,3β,4α[2′R*,3′S*,8′(2′′R*,3′′S*,4′′S*)]]]-

CAS INSIGHTSTM
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