[(1R,2S,4aR,5R,8aS)-5-hydroxy-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] (E)-3-phenylprop-2-enoate (Q105298140)

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chemical compound

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Language	Label	Description	Also known as
English	[(1R,2S,4aR,5R,8aS)-5-hydroxy-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] (E)-3-phenylprop-2-enoate	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

(5-Hydroxy-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl) 3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

368.235144884 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,4aS,5S,8aR)-5-hydroxy-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] (E)-3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₂O₃

0 references

canonical SMILES

O=C(OC1C2C(=C)CCC(O)C2(C)CCC1C(C)C)C=CC=3C=CC=CC3

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isomeric SMILES

C=C1CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccccc3)[C@@H]12

0 references

found in taxon

Brintonia discoidea

1 reference

stated in

Sesquiterpenes from Brintonia discoidea

Solidago wrightii

1 reference

stated in

Wrightol, a sesquiterpene of the eremophilane type from Solidago wrightii

Verbesina glabrata

1 reference

stated in

Eudesmane derivatives from Verbesina species

Verbesina sordescens

1 reference

stated in

Two new eudesmane cinnamates from Verbesina sordescens

Identifiers

InChI

InChI=1S/C24H32O3/c1-16(2)19-14-15-24(4)20(25)12-10-17(3)22(24)23(19)27-21(26)13-11-18-8-6-5-7-9-18/h5-9,11,13,16,19-20,22-23,25H,3,10,12,14-15H2,1-2,4H3/b13-11+/t19-,20+,22+,23+,24-/m0/s1

0 references

InChIKey

VWKORDLHIGIYBW-SDIJUFKJSA-N

0 references

PubChem CID

14164921

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

VWKORDLHIGIYBW-SDIJUFKJSA-N

 

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