(Q105218466)

English

(2R,3R,4R,5R,6S)-2-[[(1R,4aR,5S,8S,8aR)-8-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-methyloxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[[8-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-methyloxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

468.308703748 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₄O₇

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canonical SMILES

OCC=C(C)CCC1C(=C)CC(O)C2C(C)(COC3OC(C)C(O)C(O)C3O)CCCC12C

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isomeric SMILES

C=C1C[C@H](O)[C@H]2[C@](C)(CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO

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found in taxon

Mitraria coccinea

1 reference

stated in

Mitrariosides, Five Bitter Labdane Glycosides fromMitraria coccinea (Gesneriaceae)

Identifiers

InChI

InChI=1S/C26H44O7/c1-15(9-12-27)7-8-18-16(2)13-19(28)23-25(4,10-6-11-26(18,23)5)14-32-24-22(31)21(30)20(29)17(3)33-24/h9,17-24,27-31H,2,6-8,10-14H2,1,3-5H3/b15-9+/t17-,18-,19-,20-,21+,22+,23-,24+,25-,26+/m0/s1

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InChIKey

QCQMHIXCHXAOJB-CMJGASDWSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105218466)

(2R,3R,4R,5R,6S)-2-[[(1R,4aR,5S,8S,8aR)-8-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-methyloxane-3,4,5-triol

Statements

Identifiers

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