public_id

FDB018726

IUPAC 名称

(11R,14R,15R,37S,38R,39S,40R,41R,64S)-4,5,6,12,20,21,22,30,31,32,47,48,49,52,53,59,60-heptadecahydroxy-9,17,35,44,56,61-hexaoxo-38,39-bis(3,4,5-trihydroxybenzoyloxy)-2,10,13,16,28,36,43,57,58,62-decaoxaundecacyclo[38.13.4.3^{14,25}.2^{24,27}.1^{11,15}.1^{37,41}.0^{3,8}.0^{18,23}.0^{29,34}.0^{45,50}.0^{51,55}]tetrahexaconta-1(53),3,5,7,18,20,22,24(60),25,27(59),29,31,33,45,47,49,51,54-octadecaen-64-yl 3,4,5-trihydroxybenzoate

描述

Isolated from the flower buds of Camellia japonica and Camellia sasanqua. Camelliin B is found in tea and fats and oils.

CAS号

126347-60-2

异构

OC1O[C@@H]2COC(=O)C3=CC4=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)O[C@H]2[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1OC1=C(O)C(O)=C2C(=C1)C(=O)O[C@@H]1[C@@H](COC(=O)C3=C2C(O)=C(O)C(O)=C3)O[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2O4)[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1

InChI标识符

InChI=1S/C75H52O48/c76-24-1-15(2-25(77)42(24)86)65(101)119-61-59-36-13-111-69(105)20-11-34(49(93)53(97)40(20)39-19(70(106)117-59)8-31(83)46(90)52(39)96)113-58-23(10-33(85)48(92)56(58)100)73(109)123-75-64(122-67(103)17-5-28(80)44(88)29(81)6-17)62(120-66(102)16-3-26(78)43(87)27(79)4-16)60-37(116-75)14-112-68(104)18-7-30(82)45(89)51(95)38(18)41-21(71(107)118-60)12-35(50(94)54(41)98)114-57-22(9-32(84)47(91)55(57)99)72(108)121-63(61)74(110)115-36/h1-12,36-37,59-64,74-100,110H,13-14H2/t36-,37-,59-,60-,61+,62+,63-,64-,74?,75+/m1/s1

键

JMJXWSOEKNACTH-SJBVNSEXSA-N

平均分子量

1720.16280352

id

18733

含有化合物的食物

食物id	食物名称
38	Tea
957	Red tea
1021	Herbal tea
940	Green tea
894	Fats and oils
939	Black tea