(Q105352162)

English

(2R,3R,4S,5S,6R)-2-[(E)-5-[(1R,4aR,5S,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-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

0 references

subclass of

2-{[1,4a-dimethyl-5-(3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl)-6-methylidene-hexahydro-2H-naphthalen-1-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

630.361527168 dalton

1 reference

1 reference

C₃₂H₅₄O₁₂

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canonical SMILES

OCC1OC(OCC=C(C)CCC2C(=C)CCC3C(C)(COC4OC(CO)C(O)C(O)C4O)CCCC23C)C(O)C(O)C1O

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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)CCC[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

Rubus chingii

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C32H54O12/c1-17(10-13-41-29-27(39)25(37)23(35)20(14-33)43-29)6-8-19-18(2)7-9-22-31(3,11-5-12-32(19,22)4)16-42-30-28(40)26(38)24(36)21(15-34)44-30/h10,19-30,33-40H,2,5-9,11-16H2,1,3-4H3/b17-10+/t19-,20-,21-,22+,23-,24-,25+,26+,27-,28-,29-,30-,31-,32+/m1/s1

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InChIKey

YQDMUEBOTCUADA-GJCSGZMNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YQDMUEBOTCUADA-GJCSGZMNSA-N

(Q105352162)

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

Statements

Identifiers

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