(19E,21E,25E,27E,29E,31E)-33-[(2R,3S,4S,5S)-4-amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-17-[(2R,4R,5R,6R)-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-1,3,4,7,9,11,37-heptahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid

Molecular Formula: C53H85NO20


InChI: InChI=1/C53H85NO20/c1-29-18-16-14-12-10-8-6-7-9-11-13-15-17-19-37(72-52-49(65)46(54)48(64)33(5)71-52)25-42-45(51(66)67)41(61)28-53(68,74-42)27-40(60)38(58)21-20-34(55)22-35(56)23-36(57)24-43(62)69-31(3)30(2)50(29)73-44-26-39(59)47(63)32(4)70-44/h6-7,9,11-19,29-42,44-50,52,55-61,63-65,68H,8,10,20-28,54H2,1-5H3,(H,66,67)/b7-6+,11-9-,14-12+,15-13+,18-16+,19-17+/t29u,30u,31u,32-,33u,34?,35?,36?,37?,38?,39-,40?,41?,42?,44+,45u,46+,47+,48-,49+,50?,52+,53?/m1/s1/f/h66H

InChIKey: InChIKey=IKYMLQOHQLVORI-UVGJCXKSDI
SMILES: CC1C=CC=CCCC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(C(CCC(CC(CC(CC(=O)OC(C(C1OC3CC(C(C(O3)C)O)O)C)C)O)O)O)O)O)O)O)C(=O)O)OC4C(C(C(C(O4)C)O)N)O

Names:
    (19E,21E,25E,27E,29E,31E)-33-[(2R,3S,4S,5S)-4-amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-17-[(2R,4R,5R,6R)-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-1,3,4,7,9,11,37-heptahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid

Registries:
    PubChem CID 9898132
    PubChem ID 14865873