(Q105147558)

English

[(1S,2R,5S,9S,10E,12S)-9-hydroxy-1,5,9-trimethyl-7-oxo-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadec-10-en-2-yl] formate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cembrane

0 references

mass

366.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,5S,9S,12S)-9-hydroxy-1,5,9-trimethyl-7-oxo-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadec-10-en-2-yl] formate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₄O₅

0 references

canonical SMILES

O=COC1CCC(C)CC(=O)CC(O)(C=CC2(OC1(C)CC2)C(C)C)C

0 references

isomeric SMILES

CC(C)[C@]12/C=C/[C@@](C)(O)CC(=O)C[C@@H](C)CC[C@@H](OC=O)[C@](C)(CC1)O2

0 references

found in taxon

Sinularia crassa

1 reference

stated in

Bioactive cembranoids from the soft coral Sinularia crassa

Identifiers

InChI

InChI=1S/C21H34O5/c1-15(2)21-10-8-19(4,24)13-17(23)12-16(3)6-7-18(25-14-22)20(5,26-21)9-11-21/h8,10,14-16,18,24H,6-7,9,11-13H2,1-5H3/b10-8+/t16-,18+,19+,20-,21-/m0/s1

0 references

InChIKey

KXWFDYNNCDYRQV-FIJKLRHYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KXWFDYNNCDYRQV-FIJKLRHYSA-N

(Q105147558)

[(1S,2R,5S,9S,10E,12S)-9-hydroxy-1,5,9-trimethyl-7-oxo-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadec-10-en-2-yl] formate

Statements

Identifiers

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