public_id

FDB018727

IUPAC 名称

(10R,11S,12R,15R)-3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(23),2,4,6,19,21-hexaen-12-yl 2-{[(1R,2S,19R,22R)-7,8,9,12,13,14,20,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy}-3,4,5-trihydroxybenzoate

描述

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

CAS号

132731-66-9

异构

OC1O[C@@H]2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=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=CC2=C(C(O)=C1O)C1=C(O)C(O)=C(O)C=C1C(=O)O[C@@H]1[C@@H](COC2=O)OC(O)[C@@H]2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)O[C@@H]12

InChI标识符

InChI=1S/C68H48O44/c69-20-1-12(2-21(70)37(20)77)59(92)109-55-53-29(10-102-60(93)13-3-22(71)38(78)45(85)31(13)32-14(62(95)107-53)4-23(72)39(79)46(32)86)105-67(100)57(55)112-66(99)19-8-27(76)43(83)51(91)52(19)104-28-9-18-36(50(90)44(28)84)35-15(5-24(73)42(82)49(35)89)63(96)108-54-30(11-103-61(18)94)106-68(101)58-56(54)110-64(97)16-6-25(74)40(80)47(87)33(16)34-17(65(98)111-58)7-26(75)41(81)48(34)88/h1-9,29-30,53-58,67-91,100-101H,10-11H2/t29-,30-,53-,54-,55+,56+,57-,58-,67?,68?/m1/s1

键

YFWMLIOLXYBPOE-PKEATESCSA-N

平均分子量

1568.151844904

id

18734

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