(Q104990575)

English

[(3S,8R,9R,12R,13S,14S,17S)-17-acetyl-3,14-dihydroxy-8,13-dimethyl-1,2,3,4,7,9,10,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] (E)-2-methylbut-2-enoate

group of stereoisomers with the chemical formula C₂₆H₃₈O₅

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

430.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₈O₅

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canonical SMILES

O=C(OC1CC2C3C(=CCC2(C)C4(O)CCC(C(=O)C)C14C)CC(O)CC3)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@@H]1C[C@@H]2C3CC[C@H](O)CC3=CC[C@@]2(C)[C@@]2(O)CC[C@H](C(C)=O)[C@@]12C

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found in taxon

Hoodia gordonii

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stated in

An appetite suppressant from Hoodia species

Identifiers

InChI

InChI=1S/C26H38O5/c1-6-15(2)23(29)31-22-14-21-19-8-7-18(28)13-17(19)9-11-24(21,4)26(30)12-10-20(16(3)27)25(22,26)5/h6,9,18-22,28,30H,7-8,10-14H2,1-5H3/b15-6+/t18-,19?,20+,21+,22+,24+,25-,26-/m0/s1

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InChIKey

DWJXGFVABHFVJH-FVCJHYNQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DWJXGFVABHFVJH-FVCJHYNQSA-N

(Q104990575)

[(3S,8R,9R,12R,13S,14S,17S)-17-acetyl-3,14-dihydroxy-8,13-dimethyl-1,2,3,4,7,9,10,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] (E)-2-methylbut-2-enoate

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Identifiers

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