(Q105331452)

English

[(1R,2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2R)-2-methylbutanoate

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

[5-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl)-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

Caryoptinol, 14,15-dihydro-2-hydroxy-, 3-(2-methylbutanoate), (2beta,3beta)-

1 reference

based on heuristic

inferred from SMILES

mass

552.293447608 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aR,5R,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2R)-2-methylbutanoate

2 references

based on heuristic

inferred from InChIKey

1 reference

(1R,2S,3R,4aR,5S,6R,8S,8aR)-5-[(2S,3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]-8-(acetyloxy)-8a-[(acetyloxy)methyl]-3-hydroxy-5,6-dimethyl-hexahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl (2S)-2-methylbutanoate

1 reference

based on heuristic

inferred from InChI

[(1R,2S,3S,4aR,5S,6R,8S,8aR)-5-[(3aR,5R,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2R)-2-methylbutanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₄O₁₀

0 references

canonical SMILES

O=C(OCC12C(OC(=O)C)CC(C)C(C)(C3OC4OCCC4C3)C2CC(O)C(OC(=O)C(C)CC)C51OC5)C

0 references

isomeric SMILES

CC[C@@H](C)C(=O)O[C@H]1[C@H](O)C[C@@H]2[C@@](C)([C@@H]3C[C@H]4CCO[C@H]4O3)[C@H](C)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@]12CO2

0 references

found in taxon

Ajuga bracteosa

1 reference

stated in

neo-Clerodane diterpenoids from Ajuga bracteosa

Ajuga chamaepitys

1 reference

stated in

Diterpenoids from Ajuga chamaepitys: Two neo-clerodane derivatives

Ajuga integrifolia

1 reference

stated in

neo-Clerodane diterpenoids from Ajuga bracteosa

Ajuga iva

2 references

stated in

Neo-clerodane diterpenoids from Ajuga pseudoiva leaves

stated in

Neo-clerodane diterpenoids from Ajuga pseudoiva

Identifiers

InChI

InChI=1S/C29H44O10/c1-7-15(2)25(33)39-24-20(32)12-21-27(6,22-11-19-8-9-34-26(19)38-22)16(3)10-23(37-18(5)31)28(21,13-35-17(4)30)29(24)14-36-29/h15-16,19-24,26,32H,7-14H2,1-6H3/t15-,16-,19-,20-,21-,22+,23+,24+,26+,27+,28+,29-/m1/s1

0 references

InChIKey

XMVULWKEVGKECE-JQLSYVBDSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105331452)

[(1R,2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2R)-2-methylbutanoate

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)