(Q104984403)

English

methyl (3R)-5-[(1S,4aR,5R,8aR)-5-(acetyloxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 5-[5-(acetyloxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoate

1 reference

based on heuristic

inferred from SMILES

mass

378.277009696 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₈O₄

0 references

canonical SMILES

O=C(OCC1(C)CCCC2(C)C(C(=C)CCC12)CCC(C)CC(=O)OC)C

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isomeric SMILES

C=C1CC[C@H]2[C@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)OC

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found in taxon

Pinus nigra

1 reference

stated in

Major resin acids of Pinus nigra needles

Identifiers

InChI

InChI=1S/C23H38O4/c1-16(14-21(25)26-6)8-10-19-17(2)9-11-20-22(4,15-27-18(3)24)12-7-13-23(19,20)5/h16,19-20H,2,7-15H2,1,3-6H3/t16-,19+,20+,22+,23-/m1/s1

0 references

InChIKey

DLKBIWZQBIBLDR-DULJUPHJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DLKBIWZQBIBLDR-DULJUPHJSA-N

(Q104984403)

methyl (3R)-5-[(1S,4aR,5R,8aR)-5-(acetyloxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoate

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Identifiers

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