(Q104998600)

English

[6-[3-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-2,2,6-trimethyloxan-4-yl] acetate

group of stereoisomers with the chemical formula C₄₂H₇₀O₁₄

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instance of

group of stereoisomers

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subclass of

protostane/dammarane triterpenoid

1 reference

inferred from

protostane/dammarane triterpenoid

mass

798.47655692 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₇₀O₁₄

0 references

canonical SMILES

O=C(OC1CC(OC(C)(C)C1O)(C)C2CCC3(C)C2C(O)CC4C5(C)CCC(OC6OCC(O)C(O)C6OC7OCC(O)C(O)C7O)C(C)(C)C5CCC43C)C

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Identifiers

InChI

InChI=1S/C42H70O14/c1-20(43)53-25-17-42(9,56-38(4,5)34(25)50)21-10-14-41(8)29(21)22(44)16-27-39(6)13-12-28(37(2,3)26(39)11-15-40(27,41)7)54-36-33(31(48)24(46)19-52-36)55-35-32(49)30(47)23(45)18-51-35/h21-36,44-50H,10-19H2,1-9H3

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InChIKey

FNXYRVWTRCZIIF-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FNXYRVWTRCZIIF-UHFFFAOYSA-N

(Q104998600)

[6-[3-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-2,2,6-trimethyloxan-4-yl] acetate

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