[4,8′:4′,8′′:4′′,8′′′:4′′′,8′′′′-Quinque-2H-1-benzopyran]-3,3′,3′′,3′′′,3′′′′,5,5′,5′′,5′′′,5′′′′,7,7′,7′′,7′′′,7′′′′-pentadecol, 2,2′,2′′,2′′′,2′′′′-pentakis(3,4-dihydroxyphenyl)-3,3′,3′′,3′′′,3′′′′,4,4′,4′′,4′′′,4′′′′-decahydro-, (2R,2′R,2′′R,2′′′R,2′′′′R,3R,3′R,3′′R,3′′′R,3′′′′S,4R,4′R,4′′R,4′′′S)-

CAS Registry Number®

86588-85-4

CAS Name

[4,8′:4′,8′′:4′′,8′′′:4′′′,8′′′′-Quinque-2H-1-benzopyran]-3,3′,3′′,3′′′,3′′′′,5,5′,5′′,5′′′,5′′′′,7,7′,7′′,7′′′,7′′′′-pentadecol, 2,2′,2′′,2′′′,2′′′′-pentakis(3,4-dihydroxyphenyl)-3,3′,3′′,3′′′,3′′′′,4,4′,4′′,4′′′,4′′′′-decahydro-, (2R,2′R,2′′R,2′′′R,2′′′′R,3R,3′R,3′′R,3′′′R,3′′′′S,4R,4′R,4′′R,4′′′S)-

Molecular Formula

C75H62O30

Molecular Mass

1443.28

Cite this Page

[4,8′:4′,8′′:4′′,8′′′:4′′′,8′′′′-Quinque-2H-1-benzopyran]-3,3′,3′′,3′′′,3′′′′,5,5′,5′′,5′′′,5′′′′,7,7′,7′′,7′′′,7′′′′-pentadecol, 2,2′,2′′,2′′′,2′′′′-pentakis(3,4-dihydroxyphenyl)-3,3′,3′′,3′′′,3′′′′,4,4′,4′′,4′′′,4′′′′-decahydro-, (2R,2′R,2′′R,2′′′R,2′′′′R,3R,3′R,3′′R,3′′′R,3′′′′S,4R,4′R,4′′R,4′′′S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86588-85-4 (retrieved 2024-11-25) (CAS RN: 86588-85-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2/t49-,59+,60-,61+,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+/m0/s1

InChIKey

InChIKey=QRFZGLTZLZZHCM-QSFSAXMJSA-N

SMILES

OC1=C2C(=C(C(O)=C1)[C@H]3C=4C(=C(C(O)=CC4O)[C@H]5C=6C(O[C@@H]([C@@H]5O)C7=CC(O)=C(O)C=C7)=CC(O)=CC6O)O[C@@H]([C@@H]3O)C8=CC(O)=C(O)C=C8)O[C@@H]([C@H](O)[C@H]2C9=C%10C([C@@H]([C@@H](O)[C@H](O%10)C%11=CC(O)=C(O)C=C%11)C%12=C%13C(C[C@H](O)[C@H](O%13)C%14=CC(O)=C(O)C=C%14)=C(O)C=C%12O)=C(O)C=C9O)C%15=CC(O)=C(O)C=C%15

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=C7OC(C9=CC=C(O)C(O)=C9)C(O)C8C=%10C(O)=CC(O)=C%11C%10OC(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)C1

Other Names for this Substance

  • [4,8′:4′,8′′:4′′,8′′′:4′′′,8′′′′-Quinque-2H-1-benzopyran]-3,3′,3′′,3′′′,3′′′′,5,5′,5′′,5′′′,5′′′′,7,7′,7′′,7′′′,7′′′′-pentadecol, 2,2′,2′′,2′′′,2′′′′-pentakis(3,4-dihydroxyphenyl)-3,3′,3′′,3′′′,3′′′′,4,4′,4′′,4′′′,4′′′′-decahydro-, (2R,2′R,2′′R,2′′′R,2′′′′R,3R,3′R,3′′R,3′′′R,3′′′′S,4R,4′R,4′′R,4′′′S)-
  • [4,8′:4′,8′′:4′′,8′′′:4′′′,8′′′′-Quinque-2H-1-benzopyran]-3,3′,3′′,3′′′,3′′′′,5,5′,5′′,5′′′,5′′′′,7,7′,7′′,7′′′,7′′′′-pentadecol, 2,2′,2′′,2′′′,2′′′′-pentakis(3,4-dihydroxyphenyl)-3,3′,3′′,3′′′,3′′′′,4,4′,4′′,4′′′,4′′′′-decahydro-, [2R-[2α,3α,4β[2′R*,3′R*,4′R*[2′′R*,3′′R*,4′′R*[2′′′R*, 3′′′R*,4′′′S*(2′′′′R*,3′′′′S*)]]]]]-
  • Arecatannin A3

CAS INSIGHTSTM
Hourglass and a clock