PhytoHub: Showing entry for Lambertianin B

Lambertianin B

Identification

PhytoHub ID

PHUB000736

Name

Lambertianin B

Systematic Name

Not Available

Synonyms

Not Available

CAS Number

Not Available

Average Mass

1719.177

Monoisotopic Mass

1718.14715337

Chemical Formula

C₇₅H₅₀O₄₈

IUPAC Name

36-({7,8,9,12,13,14,28,29,30,33,34,35-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(31),27,29,32,34,36-dodecaen-20-yl}oxy)-7,8,9,12,13,14,28,29,30,33,34,35-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(31),27,29,32,34,36-dodecaen-20-yl 3,4,5-trihydroxybenzoate

InChI Key

MFFFFOUPJAFCQB-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C75H50O48/c76-20-1-12(2-21(77)40(20)85)65(103)123-75-64-62(119-70(108)17-7-26(82)44(89)51(96)34(17)36-19(72(110)121-64)9-28(84)46(91)53(36)98)59-30(115-75)11-113-67(105)14-4-23(79)47(92)54(99)37(14)38-39(73(111)117-59)60(57(102)56(101)55(38)100)122-74-63-61(118-69(107)16-6-25(81)43(88)50(95)33(16)35-18(71(109)120-63)8-27(83)45(90)52(35)97)58-29(114-74)10-112-66(104)13-3-22(78)41(86)48(93)31(13)32-15(68(106)116-58)5-24(80)42(87)49(32)94/h1-9,29-30,58-59,61-64,74-102H,10-11H2

SMILES

OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C(OC4OC5COC(=O)C6=C(C(O)=C(O)C(O)=C6)C6=C(O)C(O)=C(O)C=C6C(=O)OC5C5OC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(O)C(O)=C(O)C=C6C(=O)OC45)=C3C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12

Structure