Gentiobiosyl-caldarchaeol
Molecular Formula:
C98H192O16
InChI: InChI=1/C98H192O16/c1-71-29-17-33-75(5)41-25-49-83(13)57-61-107-67-87(65-99)109-63-59-85(15)51-27-43-77(7)35-19-31-73(3)39-23-47-81(11)55-53-80(10)46-22-38-72(2)30-18-34-76(6)42-26-50-84(14)58-62-108-68-88(69-111-97-96(106)94(104)92(102)90(114-97)70-112-98-95(105)93(103)91(101)89(66-100)113-98)110-64-60-86(16)52-28-44-78(8)36-20-32-74(4)40-24-48-82(12)56-54-79(9)45-21-37-71/h71-106H,17-70H2,1-16H3/t71-,72-,73-,74-,75+,76+,77+,78+,79-,80-,81-,82-,83+,84+,85+,86+,87u,88u,89-,90-,91-,92-,93+,94+,95-,96-,97-,98-/m1/s1
InChIKey: InChIKey=CRTNZTPGZOLYIO-XOTSKSILBV
SMILES: CC1CCCC(CCCC(CCOCC(OCCC(CCCC(CCCC(CCCC(CCC(CCCC(CCCC(CCCC(CCOCC(OCCC(CCCC(CCCC(CCCC(CCC(CCC1)C)C)C)C)C)COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)C)C)C)C)C)C)C)C)CO)C)C
Names:
C13874
Gentiobiosyl-caldarchaeol
Glcbeta1-6Glcbeta-caldarchaeol
(2R,3R,4S,5S,6R)-2-[[(7S,11S,15R,19R,22R,26R,30S,34S,43S,47S,51R,55R,58R,62R,66S,70S)-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methoxy]-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol
Registries:
PubChem CID 5388886
PubChem ID 854119
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