(Q105250446)

English

(+)-13-epi-Jabugodiol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

[3-ethenyl-7-(hydroxymethyl)-4a,7,10a-trimethyl-octahydro-1H-naphtho[2,1-b]pyran-3-yl]methanol

1 reference

based on heuristic

inferred from SMILES

mass

322.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3S,4aS,6aS,7S,10aR,10bS)-3-ethenyl-3-(hydroxymethyl)-4a,7,10a-trimethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-7-yl]methanol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3S,4aS,6aR,7S,10aR,10bR)-3-ethenyl-3-(hydroxymethyl)-4a,7,10a-trimethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-7-yl]methanol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3R,4aS,6aS,7S,10aR,10bS)-3-ethenyl-3-(hydroxymethyl)-4a,7,10a-trimethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-7-yl]methanol

1 reference

based on heuristic

inferred from InChI

[(3R,4aS,6aR,7S,10aR,10bR)-3-ethenyl-3-(hydroxymethyl)-4a,7,10a-trimethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-7-yl]methanol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₄O₃

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canonical SMILES

OCC1(OC2(C)CCC3C(C)(CO)CCCC3(C)C2CC1)C=C

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isomeric SMILES

C=C[C@]1(CO)CC[C@@H]2[C@@]3(C)CCC[C@@](C)(CO)[C@@H]3CC[C@@]2(C)O1

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found in taxon

Stachys plumosa

2 references

stated in

Labdane diterpenes from Stachys plumosa

stated in

Labdane diterpenes from Stachys plumosa

Identifiers

InChI

InChI=1S/C20H34O3/c1-5-20(14-22)12-8-16-18(3)10-6-9-17(2,13-21)15(18)7-11-19(16,4)23-20/h5,15-16,21-22H,1,6-14H2,2-4H3/t15-,16+,17-,18-,19+,20+/m0/s1

0 references

InChIKey

SCVQZSIEFMYHAN-GNVSMLMZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SCVQZSIEFMYHAN-GNVSMLMZSA-N

1 reference

(Q105250446)

(+)-13-epi-Jabugodiol

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Identifiers

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