(Q105304829)

English

(1S,4aR,5S,6S,8aS)-5-[(3S)-5-(2-carboxyacetyl)oxy-3-methylpentyl]-6-hydroxy-1,4a,6-trimethyl-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-[5-(2-carboxyacetyl)oxy-3-methylpentyl]-6-hydroxy-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

426.261753556 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₈O₇

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canonical SMILES

O=C(O)CC(=O)OCCC(C)CCC1C(O)(C)CCC2C(C(=O)O)(C)CCCC12C

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isomeric SMILES

C[C@H](CCOC(=O)CC(=O)O)CC[C@@H]1[C@@](C)(O)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]12C

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found in taxon

Olearia teretifolia

1 reference

stated in

Clerodane and labdane derivatives from Olearia teretifolia

Identifiers

InChI

InChI=1S/C23H38O7/c1-15(9-13-30-19(26)14-18(24)25)6-7-17-21(2)10-5-11-22(3,20(27)28)16(21)8-12-23(17,4)29/h15-17,29H,5-14H2,1-4H3,(H,24,25)(H,27,28)/t15-,16-,17-,21+,22-,23-/m0/s1

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InChIKey

WGRJMFWPPWQNFE-LDIWCKMVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WGRJMFWPPWQNFE-LDIWCKMVSA-N

(Q105304829)

(1S,4aR,5S,6S,8aS)-5-[(3S)-5-(2-carboxyacetyl)oxy-3-methylpentyl]-6-hydroxy-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

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Identifiers

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