(Q105212776)

English

2-[(2R,4aS,7R,8S,8aR)-7-acetyloxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-(7-Acetyloxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

310.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2-[(2R,4aS,7S,8S,8aR)-7-acetyloxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₆O₅

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canonical SMILES

O=C(O)C(=C)C1CCC2(C)CCC(OC(=O)C)C(O)(C)C2C1

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isomeric SMILES

C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CC[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]2C1

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found in taxon

Haeckeria pholidota

2 references

stated in

Eremophilane derivatives and other constituents from Haeckeria species and further Australian inuleae

stated in

Kaurane succinates and prenylated aromatics from Odixia angusta and Ozothamnus obcordatus

Haeckeria punctulata

1 reference

stated in

Eremophilane derivatives and other constituents from Haeckeria species and further Australian inuleae

Identifiers

InChI

InChI=1S/C17H26O5/c1-10(15(19)20)12-5-7-16(3)8-6-14(22-11(2)18)17(4,21)13(16)9-12/h12-14,21H,1,5-9H2,2-4H3,(H,19,20)/t12-,13-,14-,16+,17+/m1/s1

0 references

InChIKey

POZYOVPQCDLBIQ-VJDWVQAOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

POZYOVPQCDLBIQ-VJDWVQAOSA-N

(Q105212776)

2-[(2R,4aS,7R,8S,8aR)-7-acetyloxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid

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Identifiers

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