(Q105029211)

English

methyl (2S,5R,6R)-2,5,6-trihydroxy-2-methyl-6-[(2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-6-oxo-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 2,5,6-trihydroxy-2-methyl-6-(2,3,5,14-tetrahydroxy-10,13-dimethyl-6-oxo-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)heptanoate

1 reference

based on heuristic

inferred from SMILES

mass

540.293447608 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (2R,5R,6R)-2,5,6-trihydroxy-2-methyl-6-[(2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-6-oxo-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₄O₁₀

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canonical SMILES

O=C(OC)C(O)(C)CCC(O)C(O)(C)C1CCC2(O)C3=CC(=O)C4(O)CC(O)C(O)CC4(C)C3CCC12C

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isomeric SMILES

COC(=O)[C@@](C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C

0 references

found in taxon

Leuzea carthamoides

1 reference

stated in

Phytoecdysteroids of plants of the genusRhaponticum I. Carthamosterone a fromRh. carthamoides

Rhaponticum carthamoides

1 reference

stated in

Phytoecdysteroids of plants of the genusRhaponticum I. Carthamosterone a fromRh. carthamoides

Identifiers

InChI

InChI=1S/C28H44O10/c1-23-9-6-15-16(12-21(32)28(37)14-18(30)17(29)13-24(15,28)2)27(23,36)11-7-19(23)26(4,35)20(31)8-10-25(3,34)22(33)38-5/h12,15,17-20,29-31,34-37H,6-11,13-14H2,1-5H3/t15-,17-,18+,19-,20+,23+,24+,25-,26+,27+,28+/m0/s1

0 references

InChIKey

HJFRJOLPKVDZSE-HJGOVHHASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HJFRJOLPKVDZSE-HJGOVHHASA-N

(Q105029211)

methyl (2S,5R,6R)-2,5,6-trihydroxy-2-methyl-6-[(2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-6-oxo-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoate

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