TRICHONIN
Molecular Formula:
C42H70O14
InChI: InChI=1/C42H70O14/c1-20(24(44)17-28(45)39(4,5)52)21-11-15-42(8)23-9-10-27-38(2,3)29(13-14-40(27,6)22(23)12-16-41(21,42)7)56-37-35(51)33(49)31(47)26(55-37)19-53-36-34(50)32(48)30(46)25(18-43)54-36/h12,20-21,23-27,29-37,43-44,46-52H,9-11,13-19H2,1-8H3/t20-,21+,23+,24?,25u,26u,27-,29-,30?,31?,32?,33?,34?,35?,36?,37?,40+,41+,42-/m0/s1
InChIKey: InChIKey=UTLMKDSLDXMRLW-VUCLTNBABR
SMILES: CC(C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)C)C)C)C(CC(=O)C(C)(C)O)O
Names:
NSC381059
TRICHONIN
(6S)-2,5-dihydroxy-2-methyl-6-[(3S,5S,8S,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-3-one
Registries:
PubChem CID 5458918
PubChem ID 8141614
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