(Q104398797)

English

(2aR,4R,5'S,5aR,6S,7S,9S,9aR)-5'-(furan-3-yl)-4,9-dihydroxy-2a-(hydroxymethyl)-7-methylspiro[1,3,4,5,5a,7,8,9-octahydronaphtho[1,8a-b]oxete-6,3'-oxolane]-2'-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5'-(furan-3-yl)-3,8-dihydroxy-9a-(hydroxymethyl)-5-methyl-octahydrospiro[naphtho[1,8a-b]oxete-6,3'-oxolan]-2'-one

1 reference

based on heuristic

inferred from SMILES

(2aR,3R,5R,6R,8S,9aR)-5'-(furan-3-yl)-3,8-dihydroxy-9a-(hydroxymethyl)-5-methyl-octahydrospiro[naphtho[1,8a-b]oxete-6,3'-oxolan]-2'-one

1 reference

based on heuristic

inferred from SMILES

mass

378.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2aR,4S,5'S,5aS,6R,7R,9R,9aR)-5'-(furan-3-yl)-4,9-dihydroxy-2a-(hydroxymethyl)-7-methylspiro[1,3,4,5,5a,7,8,9-octahydronaphtho[1,8a-b]oxete-6,3'-oxolane]-2'-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₇

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canonical SMILES

O=C1OC(C2=COC=C2)CC13C(C)CC(O)C45COC5(CO)CC(O)CC34

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isomeric SMILES

C[C@H]1C[C@H](O)[C@@]23CO[C@]2(CO)C[C@H](O)C[C@H]3[C@]12C[C@@H](c1ccoc1)OC2=O

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found in taxon

Teucrium oxylepis

1 reference

stated in

Neo-clerodane diterpenoids from Teucrium oxylepis subsp. Marianum

Teucrium lamiifolium

1 reference

stated in

Teulamioside, a neo-clerodane glucoside from Teucrium lamiifolium

Teucrium chamaedrys

1 reference

stated in

Structure of teucroxide. Application of natural-abundance carbon-13 - carbon-13 coupling constants observed via double-quantum coherence

Teucrium salviastrum

1 reference

stated in

Neo-clerodane diterpenoids from Teucrium salviastrum

Identifiers

InChI

InChI=1S/C20H26O7/c1-11-4-16(23)20-10-26-18(20,9-21)6-13(22)5-15(20)19(11)7-14(27-17(19)24)12-2-3-25-8-12/h2-3,8,11,13-16,21-23H,4-7,9-10H2,1H3/t11-,13+,14-,15-,16-,18-,19-,20-/m0/s1

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InChIKey

PEEGIHKIWQFTKW-BPCGEQIFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104398797)

(2aR,4R,5'S,5aR,6S,7S,9S,9aR)-5'-(furan-3-yl)-4,9-dihydroxy-2a-(hydroxymethyl)-7-methylspiro[1,3,4,5,5a,7,8,9-octahydronaphtho[1,8a-b]oxete-6,3'-oxolane]-2'-one

Statements

Identifiers

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