(Q104971171)

English

(2R,3R,4S,5S,6R)-2-[[(1S,2R,4aS,5R,8aR)-2-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-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[(1S,2R,4aS,5R,8aS)-Decahydro-2-hydroxy-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-1-naphthalenyl]methyl beta-D-glucopyranoside

1 reference

based on heuristic

inferred from SMILES

mass

484.303618368 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₄₄O₈

0 references

canonical SMILES

OCC=C(C)CCC1C(=C)CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC12C

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isomeric SMILES

C=C1CC[C@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO

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found in taxon

Rubus chingii

1 reference

stated in

Ent-labdane-type diterpene glucosides from leaves of Rubus chingii

Identifiers

InChI

InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19-,20-,21-,22+,23-,24-,25+,26-/m1/s1

0 references

InChIKey

CWDBCXIAEGDANA-VBDNULBUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CWDBCXIAEGDANA-VBDNULBUSA-N

(Q104971171)

(2R,3R,4S,5S,6R)-2-[[(1S,2R,4aS,5R,8aR)-2-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-(hydroxymethyl)oxane-3,4,5-triol

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Identifiers

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