(Q104947135)

English

(2aS,5'S,5aS,6R,7R,9R,9aR)-5'-(furan-3-yl)-9-hydroxy-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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instance of

type of chemical entity

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subclass of

5'-(Furan-3-yl)-9-hydroxy-2a-(hydroxymethyl)-7-methylspiro[1,3,4,5,5a,7,8,9-octahydronaphtho[1,8a-b]oxete-6,3'-oxolane]-2'-one

1 reference

based on heuristic

inferred from SMILES

mass

362.172938552 dalton

1 reference

2 references

inferred from InChIKey

1 reference

C₂₀H₂₆O₆

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canonical SMILES

O=C1OC(C2=COC=C2)CC13C(C)CC(O)C45COC5(CO)CCCC34

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isomeric SMILES

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

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found in taxon

Teucrium polium

1 reference

stated in

Structure elucidation and hepatotoxicity evaluation against HepG2 human cells of neo-clerodane diterpenes from Teucrium polium L.

Identifiers

InChI

InChI=1S/C20H26O6/c1-12-7-16(22)20-11-25-18(20,10-21)5-2-3-15(20)19(12)8-14(26-17(19)23)13-4-6-24-9-13/h4,6,9,12,14-16,21-22H,2-3,5,7-8,10-11H2,1H3/t12-,14+,15-,16-,18-,19-,20+/m1/s1

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InChIKey

BWDPEGUHIBSSSY-HPQWIRMFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BWDPEGUHIBSSSY-HPQWIRMFSA-N

(Q104947135)

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

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