[4,8′-Bi-2H-1-benzopyran]-3,3′,5,5′,7,7′-hexol, 4′-[(2R,3R,4S,8R,14R,15R)-2,8-bis(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4-dihydro-3,5,11,13,15-pentahydroxy-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-10-yl]-2,2′-bis(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-, (2R,2′R,3R,3′R,4R,4′R)-
CAS Registry Number®
CAS Name
[4,8′-Bi-2H-1-benzopyran]-3,3′,5,5′,7,7′-hexol, 4′-[(2R,3R,4S,8R,14R,15R)-2,8-bis(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4-dihydro-3,5,11,13,15-pentahydroxy-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-10-yl]-2,2′-bis(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-, (2R,2′R,3R,3′R,4R,4′R)-Molecular Formula
C75H60O30Molecular Mass
1441.26Cite this Page
[4,8′-Bi-2H-1-benzopyran]-3,3′,5,5′,7,7′-hexol, 4′-[(2R,3R,4S,8R,14R,15R)-2,8-bis(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4-dihydro-3,5,11,13,15-pentahydroxy-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-10-yl]-2,2′-bis(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-, (2R,2′R,3R,3′R,4R,4′R)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=88057-90-3 (retrieved ) (CAS RN: 88057-90-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C75H60O30/c76-28-16-41(88)51-49(17-28)100-67(24-2-7-31(78)37(84)12-24)63(96)59(51)53-43(90)20-44(91)54-61(65(98)68(102-71(53)54)25-3-8-32(79)38(85)13-25)56-45(92)21-46(93)57-62-58-50(104-75(74(62)99,105-73(56)57)27-5-10-34(81)40(87)15-27)22-47(94)55-60(64(97)69(103-72(55)58)26-4-9-33(80)39(86)14-26)52-42(89)19-35(82)29-18-48(95)66(101-70(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,48,59-69,74,76-99H,18H2
InChIKey
InChIKey=ODHOTFAKXJWQIS-UHFFFAOYSA-N
SMILES
OC1C2(OC=3C(C1C4=C(O2)C=C(O)C5=C4OC(C(O)C5C6=C7C(CC(O)C(O7)C8=CC(O)=C(O)C=C8)=C(O)C=C6O)C9=CC(O)=C(O)C=C9)=C(O)C=C(O)C3C%10C=%11C(=C(C(O)=CC%11O)C%12C=%13C(OC(C%12O)C%14=CC(O)=C(O)C=C%14)=CC(O)=CC%13O)OC(C%10O)C%15=CC(O)=C(O)C=C%15)C%16=CC(O)=C(O)C=C%16
Canonical SMILES
OC=1C=C(O)C2=C(OC(C3=CC=C(O)C(O)=C3)C(O)C2C4=C(O)C=C(O)C5=C4OC(C6=CC=C(O)C(O)=C6)C(O)C5C7=C(O)C=C(O)C8=C7OC9(OC%10=CC(O)=C%11C(OC(C%12=CC=C(O)C(O)=C%12)C(O)C%11C=%13C(O)=CC(O)=C%14C%13OC(C%15=CC=C(O)C(O)=C%15)C(O)C%14)=C%10C8C9O)C%16=CC=C(O)C(O)=C%16)C1
Other Names for this Substance
- [4,8′-Bi-2H-1-benzopyran]-3,3′,5,5′,7,7′-hexol, 4′-[(2R,3R,4S,8R,14R,15R)-2,8-bis(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4-dihydro-3,5,11,13,15-pentahydroxy-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-10-yl]-2,2′-bis(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-, (2R,2′R,3R,3′R,4R,4′R)-
- [4,8′-Bi-2H-1-benzopyran]-3,3′,5,5′,7,7′-hexol, 4′-[2,8-bis(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4-dihydro-3,5,11,13,15-pentahydroxy-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-10-yl]-2,2′-bis(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-, [2R-[2α,3α,4β(2R*,3R*),8β,10[2′R*,3′R*,4′R*,8′(2R*,3R*,4R*)],14β,15R*]]-
- 8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin, [4,8′-bi-2H-1-benzopyran]-3,3′,5,5′,7,7′-hexol deriv.
- Pavetannin D 1