Thapsuine A
Molecular Formula:
C54H88O21
InChI: InChI=1/C54H88O21/c1-24-32(57)35(60)38(63)45(69-24)75-43-34(59)27(21-67-44-40(65)37(62)42(25(2)70-44)74-46-39(64)36(61)33(58)26(20-55)71-46)72-47(41(43)66)73-31-11-12-49(5)28(50(31,6)22-56)9-13-51(7)29(49)10-14-54-30-19-48(3,4)15-17-53(30,23-68-54)18-16-52(51,54)8/h10,14,24-47,55-66H,9,11-13,15-23H2,1-8H3/t24u,25u,26u,27u,28-,29-,30-,31+,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,49+,50+,51-,52+,53-,54+/m1/s1
InChIKey: InChIKey=AGRBCEPQHVINNI-IPKKMPSHBA
SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3CCC4(C(C3(C)CO)CCC5(C4C=CC67C5(CCC8(C6CC(CC8)(C)C)CO7)C)C)C)COC9C(C(C(C(O9)C)OC1C(C(C(C(O1)CO)O)O)O)O)O)O)O)O)O
Names:
NSC357826
Thapsuine A
76429-00-0
Registries:
PubChem CID 5458837
PubChem ID 8141432
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