651053-52-0 ([3,3',4',5,7-五羟基黄烷-(4→8) ]2-3,3',4',5,7-五羟基黄烷;(2R,2'R,2''R,3R,3'S,3'S,4α,4'β)-,5A,5B-二羟基,[3,3',4',5,7-Pentahydroxyflavan-(4→8)]2-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,2''R,3R,3'S,3''S,4α,4'β)-form, 5A,5B-Dihydroxy)

CAS号:
651053-52-0
中文名称:
[3,3',4',5,7-五羟基黄烷-(4→8) ]2-3,3',4',5,7-五羟基黄烷;(2R,2'R,2''R,3R,3'S,3'S,4α,4'β)-,5A,5B-二羟基
英文名称:
[3,3',4',5,7-Pentahydroxyflavan-(4→8)]2-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,2''R,3R,3'S,3''S,4α,4'β)-form, 5A,5B-Dihydroxy
分子式:
C45H38O20
分子量:
898.771234989166
植物源:

[3,3',4',5,7-五羟基黄烷-(4→8) ]2-3,3',4',5,7-五羟基黄烷;(2R,2'R,2''R,3R,3'S,3'S,4α,4'β)-,5A,5B-二羟基(651053-52-0)名称与标识符

标识符

InChIKey:
RJFFPCHJOFXZQD-UHFFFAOYSA-N
Inchi:
1S/C45H38O20/c46-16-8-21(50)31-30(9-16)63-42(14-4-25(54)37(59)26(55)5-14)39(61)35(31)33-23(52)12-24(53)34-36(40(62)43(65-45(33)34)15-6-27(56)38(60)28(57)7-15)32-22(51)11-19(48)17-10-29(58)41(64-44(17)32)13-1-2-18(47)20(49)3-13/h1-9,11-12,29,35-36,39-43,46-62H,10H2
SMILES:
OC1C(C2C=C(O)C(O)=CC=2)OC2C(=C(C=C(C=2C2C3C(=C(C(=CC=3O)O)C3C4C(=CC(=CC=4O)O)OC(C4C=C(O)C(O)=C(O)C=4)C3O)OC(C3C=C(O)C(O)=C(O)C=3)C2O)O)O)C1