(Q105183771)

English

(1R,3R,4R,4aS,5'S)-5'-(furan-3-yl)-1-hydroxy-8-(hydroxymethyl)-3-methylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-4,3'-oxolane]-2'-one

chemical compound

In more languages

Statements

type of chemical entity

0 references

5'-(furan-3-yl)-1-hydroxy-8-(hydroxymethyl)-3-methylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-4,3'-oxolane]-2'-one

1 reference

based on heuristic

inferred from SMILES

332.162373868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

12-epi-Montanin B

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₄O₅

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canonical SMILES

O=C1OC(C2=COC=C2)CC13C4C(=C(CO)CCC4)C(O)CC3C

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isomeric SMILES

C[C@@H]1C[C@@H](O)C2=C(CO)CCC[C@@H]2[C@@]12C[C@@H](c1ccoc1)OC2=O

0 references

Teucrium maghrebinum

3 references

Neoclerodane diterpenoids from Teucrium maghrebinum

Neo-clerodane diterpenoids from Teucrium massiliense

Neo-clerodane diterpenoids from Teucrium yemense

Teucrium montanum

1 reference

Montanin-D, a New Furanoid Diterpene of Clerodane Type from Teucrium montanum L.

Teucrium polium

1 reference

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

Identifiers

InChI=1S/C19H24O5/c1-11-7-15(21)17-12(9-20)3-2-4-14(17)19(11)8-16(24-18(19)22)13-5-6-23-10-13/h5-6,10-11,14-16,20-21H,2-4,7-9H2,1H3/t11-,14+,15-,16+,19-/m1/s1

0 references

NQFQJZXPCAHOPD-TZWIDBTFSA-N

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CAS Registry Number

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

NQFQJZXPCAHOPD-TZWIDBTFSA-N

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID101100230

1 reference

matched by identifier from

NQFQJZXPCAHOPD-TZWIDBTFSA-N

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