(Q105384690)

English

(1S,4aS,5R,8aS)-5-[2-[(2R,3S,4R,5R)-3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl]ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5-[2-(3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-hexahydro-2H-naphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

412.246103492 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,4aS,5R,8aS)-5-[2-[(2S,3R,4S,5S)-3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl]ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from InChI

(1S,4aR,5R,8aR)-5-[2-[(2R,3R,4S,5R)-3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl]ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₆O₇

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canonical SMILES

O=C(O)C1(C)CCCC2(C)C(C(=C)CCC12)CCC3(O)C(OC)OC(OC)C3O

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isomeric SMILES

C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@@]1(O)[C@H](OC)O[C@@H](OC)[C@@H]1O

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found in taxon

Conyza stricta

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stated in

Terpenoids from Conyza stricta

Identifiers

InChI

InChI=1S/C22H36O7/c1-13-7-8-15-20(2,10-6-11-21(15,3)18(24)25)14(13)9-12-22(26)16(23)17(27-4)29-19(22)28-5/h14-17,19,23,26H,1,6-12H2,2-5H3,(H,24,25)/t14-,15+,16+,17-,19-,20+,21+,22+/m1/s1

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InChIKey

ZVVJVAKXIGRPRA-SYHDCBOWSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105384690)

(1S,4aS,5R,8aS)-5-[2-[(2R,3S,4R,5R)-3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl]ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

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