Marthasteroside A1

Molecular Formula: C₆₂H₁₀₂O₃₁S

InChI: InChI=1/C62H102O31S/c1-22(2)16-28(64)17-23(3)31-10-11-32-30-19-35(34-18-29(93-94(78,79)80)12-14-62(34,9)33(30)13-15-61(31,32)8)86-57-49(76)52(41(68)26(6)84-57)90-59-53(91-56-48(75)45(72)39(66)25(5)83-56)43(70)37(21-81-59)88-60-54(46(73)42(69)36(20-63)87-60)92-58-50(77)51(40(67)27(7)85-58)89-55-47(74)44(71)38(65)24(4)82-55/h19,22-27,29,31-60,63,65-77H,10-18,20-21H2,1-9H3,(H,78,79,80)/t23-,24u,25u,26u,27u,29+,31-,32u,33u,34u,35+,36u,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,61-,62-/m1/s1/f/h78H

InChIKey: InChIKey=WIJGXCZIUOZVQC-WNVKNFLSDK
SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3C(C(C(OC3OC4COC(C(C4O)OC5C(C(C(C(O5)C)O)O)O)OC6C(C(OC(C6O)OC7C=C8C9CCC(C9(CCC8C1(C7CC(CC1)OS(=O)(=O)O)C)C)C(C)CC(=O)CC(C)C)C)O)CO)O)O)C)O)O)O)O

Names:
    Marthasteroside A1
    NSC382397
    4-[5-[3-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyl-oxan-2-yl)oxy-oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-3-(3,4,5-trihydroxy-6-methyl-oxan-2-yl)oxy-oxan-2-yl]oxy-2-[[(3S,6R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-4-oxo-heptan-2-yl]-3-sulfooxy-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-3,5-dihydroxy-6-methyl-oxane
    88434-24-6

Registries:
    PubChem CID 5458926
    PubChem ID 8141635