(Q105163811)

English

[(1S,2S,4R,5S,9R,10R,13S)-2-acetyloxy-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(2-Acetyloxy-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

388.261359632 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₆O₄

0 references

canonical SMILES

O=C(OCC1(C)CCCC2(C)C3CCC4(C=CC3(C4)C(OC(=O)C)CC12)C)C

0 references

isomeric SMILES

CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@H]1C[C@H](OC(C)=O)[C@@]13C=C[C@@](C)(CC[C@@H]12)C3

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found in taxon

Sideritis pusilla

1 reference

stated in

Terpenoids from Sideritis varoi subs oriensis

Identifiers

InChI

InChI=1S/C24H36O4/c1-16(25)27-15-22(4)8-6-9-23(5)18-7-10-21(3)11-12-24(18,14-21)20(13-19(22)23)28-17(2)26/h11-12,18-20H,6-10,13-15H2,1-5H3/t18-,19+,20+,21-,22-,23+,24-/m1/s1

0 references

InChIKey

MHHMKHWAIDJFGO-SJIUFLAJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MHHMKHWAIDJFGO-SJIUFLAJSA-N

(Q105163811)

[(1S,2S,4R,5S,9R,10R,13S)-2-acetyloxy-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl acetate

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