(Q105033382)

English

2-[6-[[3,4,8,8a-Tetramethyl-4-[3-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxypent-4-enyl]-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-4-hydroxy-2-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₃H₇₂O₁₈

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instance of

group of stereoisomers

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subclass of

clerodane diterpenoid

1 reference

inferred from

clerodane diterpenoid

mass

876.4718654640005 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₃H₇₂O₁₈

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canonical SMILES

OC1COC(OC(C=C)(C)CCC2(C)C(C)CC(OC3OC(C)C(OC4OC(C)C(O)C(O)C4O)C(O)C3OC5OC(C)C(O)C(O)C5O)C6(C(=CCCC62)C)C)C(O)C1O

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Identifiers

InChI

InChI=1S/C43H72O18/c1-10-41(7,61-37-31(50)28(47)23(44)17-54-37)14-15-42(8)19(3)16-25(43(9)18(2)12-11-13-24(42)43)58-40-36(60-39-33(52)30(49)27(46)21(5)56-39)34(53)35(22(6)57-40)59-38-32(51)29(48)26(45)20(4)55-38/h10,12,19-40,44-53H,1,11,13-17H2,2-9H3

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InChIKey

HTDSQTFOZGOGLV-UHFFFAOYSA-N

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PubChem CID

162985731

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HTDSQTFOZGOGLV-UHFFFAOYSA-N

(Q105033382)

2-[6-[[3,4,8,8a-Tetramethyl-4-[3-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxypent-4-enyl]-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-4-hydroxy-2-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

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Identifiers

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