(Q105234937)

English

(2R,3R,4S,5S,6R)-2-[(E)-5-[(1S,4S,4aR,5S,6R,7R,8aR)-4,6,7-trihydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-(hydroxymethyl)-6-[3-methyl-5-[4,6,7-trihydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]pent-2-enoxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

516.293447608 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₄O₁₀

0 references

canonical SMILES

OCC1OC(OCC=C(C)CCC2C(=C)CC(O)C3C(C)(CO)C(O)C(O)CC23C)C(O)C(O)C1O

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isomeric SMILES

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

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found in taxon

Viburnum suspensum

1 reference

stated in

Diterpene glucosides from Viburnum suspensum

Identifiers

InChI

InChI=1S/C26H44O10/c1-13(7-8-35-24-21(33)20(32)19(31)18(11-27)36-24)5-6-15-14(2)9-16(29)22-25(15,3)10-17(30)23(34)26(22,4)12-28/h7,15-24,27-34H,2,5-6,8-12H2,1,3-4H3/b13-7+/t15-,16-,17+,18+,19+,20-,21+,22+,23-,24+,25+,26+/m0/s1

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InChIKey

RELFYRAALPHPDW-PXBCMIAGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RELFYRAALPHPDW-PXBCMIAGSA-N

1 reference

(Q105234937)

(2R,3R,4S,5S,6R)-2-[(E)-5-[(1S,4S,4aR,5S,6R,7R,8aR)-4,6,7-trihydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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