(Q104976870)

English

(1S,2E,4S,7E,11E)-4-(2-hydroxypropan-2-yl)-1,7,11-trimethylcyclotetradeca-2,7,11-triene-1,4-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cembrane

0 references

mass

322.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,4S)-4-(2-hydroxypropan-2-yl)-1,7,11-trimethylcyclotetradeca-2,7,11-triene-1,4-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2E,4S,7E,11E)-4-(2-hydroxypropan-2-yl)-1,7,11-trimethylcyclotetradeca-2,7,11-triene-1,4-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₄O₃

0 references

canonical SMILES

OC1(C=CC(O)(CCC(=CCCC(=CCC1)C)C)C(O)(C)C)C

0 references

isomeric SMILES

C/C1=C\CC[C@](C)(O)/C=C/[C@](O)(C(C)(C)O)CC/C(C)=C/CC1

0 references

found in taxon

Lobophytum crassum

1 reference

stated in

Cembranoids from the Dongsha Atoll soft coral Lobophytum crassum

Identifiers

InChI

InChI=1S/C20H34O3/c1-16-8-6-9-17(2)11-13-20(23,18(3,4)21)15-14-19(5,22)12-7-10-16/h9-10,14-15,21-23H,6-8,11-13H2,1-5H3/b15-14+,16-10+,17-9+/t19-,20-/m0/s1

0 references

InChIKey

DDUWQTPSMMTVDA-GSZALPCJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DDUWQTPSMMTVDA-GSZALPCJSA-N

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

15 January 2022

InChIKey

DDUWQTPSMMTVDA-GSZALPCJSA-N

(Q104976870)

(1S,2E,4S,7E,11E)-4-(2-hydroxypropan-2-yl)-1,7,11-trimethylcyclotetradeca-2,7,11-triene-1,4-diol

Statements

Identifiers

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