(Q104986834)

English

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1S,4aS,5R,8aS)-1,4a-dimethyl-5-[(3E)-3-methyl-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl]-6-methylidene-hexahydro-2H-naphthalene-1-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

beta-D-Glucopyranose, 1-[(1S,4aS,5R,8aS)-5-[(3E)-5-(beta-D-glucopyranosyloxy)-3-methyl-3-penten-1-yl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylate]

1 reference

based on heuristic

inferred from SMILES

mass

644.340791724 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₂O₁₃

0 references

canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C2(C)CCCC3(C)C(C(=C)CCC23)CCC(=CCOC4OC(CO)C(O)C(O)C4O)C

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isomeric SMILES

C=C1CC[C@@H]2[C@@](C)(C(=O)O[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

2 references

stated in

Diterpene glycosides from leaves of Chinese Rubus chingii and fruits of R. suavissimus, and identification of the source plant of the Chinese folk medicine "fu-pen-zi"

stated in

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

Rubus niveus

1 reference

stated in

Labdane-Type Diterpene Glycosides from Fruits of Rubus foliolosus.

Identifiers

InChI

InChI=1S/C32H52O13/c1-16(10-13-42-28-26(39)24(37)22(35)19(14-33)43-28)6-8-18-17(2)7-9-21-31(18,3)11-5-12-32(21,4)30(41)45-29-27(40)25(38)23(36)20(15-34)44-29/h10,18-29,33-40H,2,5-9,11-15H2,1,3-4H3/b16-10+/t18-,19-,20-,21+,22-,23-,24+,25+,26-,27-,28-,29+,31+,32+/m1/s1

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InChIKey

DQBCTTXPKJBNHF-BAKDAFLOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DQBCTTXPKJBNHF-BAKDAFLOSA-N

(Q104986834)

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1S,4aS,5R,8aS)-1,4a-dimethyl-5-[(3E)-3-methyl-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl]-6-methylidene-hexahydro-2H-naphthalene-1-carboxylate

Statements

Identifiers

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