(Q105194538)

English

3-O-[[(1R,4aS,4bR,7S,9R,10aR)-9-acetyloxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-1-yl]methyl] 1-O-ethyl propanedioate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-O-[(9-acetyloxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-1-yl)methyl] 1-O-ethyl propanedioate

1 reference

based on heuristic

inferred from SMILES

mass

462.298139064 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₂O₆

0 references

canonical SMILES

O=C(OC1C2=CC(CCC2C3(C)CCCC(C)(COC(=O)CC(=O)OCC)C3C1)C(C)C)C

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isomeric SMILES

CCOC(=O)CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@@H](C(C)C)C=C3[C@H](OC(C)=O)C[C@H]21

0 references

found in taxon

Nepeta teydea

1 reference

stated in

Abietane diterpenes from Nepeta teydea

Identifiers

InChI

InChI=1S/C27H42O6/c1-7-31-24(29)15-25(30)32-16-26(5)11-8-12-27(6)21-10-9-19(17(2)3)13-20(21)22(14-23(26)27)33-18(4)28/h13,17,19,21-23H,7-12,14-16H2,1-6H3/t19-,21+,22-,23+,26+,27-/m1/s1

0 references

InChIKey

OMWXJVOCFMNCTG-ZUTMMEPKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OMWXJVOCFMNCTG-ZUTMMEPKSA-N

(Q105194538)

3-O-[[(1R,4aS,4bR,7S,9R,10aR)-9-acetyloxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-1-yl]methyl] 1-O-ethyl propanedioate

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Identifiers

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