(Q104962669)

English

[(2S,4aR,5R,7S,8S,8aS)-7,8-dihydroxy-1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[7,8-dihydroxy-1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

456.214803364 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₂O₇

0 references

canonical SMILES

O=C1OC=2C=C(OCC3C(=C)C(O)C(O)C4C(C)(C)C(OC(=O)C)CCC34C)C=CC2C=C1

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isomeric SMILES

C=C1[C@H](O)[C@@H](O)[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1

0 references

found in taxon

Ferula assa-foetida

1 reference

stated in

Monoterpene coumarins from Ferula ferulago.

Identifiers

InChI

InChI=1S/C26H32O7/c1-14-18(13-31-17-8-6-16-7-9-21(28)33-19(16)12-17)26(5)11-10-20(32-15(2)27)25(3,4)24(26)23(30)22(14)29/h6-9,12,18,20,22-24,29-30H,1,10-11,13H2,2-5H3/t18-,20-,22-,23+,24+,26+/m0/s1

0 references

InChIKey

CKPWNMFJQJVNER-LQOVIJHDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CKPWNMFJQJVNER-LQOVIJHDSA-N

(Q104962669)

[(2S,4aR,5R,7S,8S,8aS)-7,8-dihydroxy-1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate

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