(Q105262769)

English

(4S)-4-[(E,3S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxybut-1-enyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-[3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxybut-1-enyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one

1 reference

based on heuristic

inferred from SMILES

mass

532.25197672 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4S)-3,5,5-Trimethyl-4-hydroxy-4-[(1E,3R)-3-[2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyloxy]-1-butenyl]-2-cyclohexene-1-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₄₀O₁₂

0 references

canonical SMILES

O=C1C=C(C)C(O)(C=CC(OC2OC(CO)C(O)C(O)C2OC3OC(C)C(O)C(O)C3O)C)C(C)(C)C1

0 references

isomeric SMILES

CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

0 references

found in taxon

Dioscorea spongiosa

1 reference

stated in

Steroidal glycosides from the rhizomes of Dioscorea spongiosa

Identifiers

InChI

InChI=1S/C25H40O12/c1-11-8-14(27)9-24(4,5)25(11,33)7-6-12(2)34-23-21(19(31)17(29)15(10-26)36-23)37-22-20(32)18(30)16(28)13(3)35-22/h6-8,12-13,15-23,26,28-33H,9-10H2,1-5H3/b7-6+/t12-,13-,15+,16-,17+,18+,19-,20+,21+,22-,23+,25+/m0/s1

0 references

InChIKey

SWOFNYOUVWQWHE-SFPXILRHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SWOFNYOUVWQWHE-SFPXILRHSA-N

(Q105262769)

(4S)-4-[(E,3S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxybut-1-enyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one

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Identifiers

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