(Q105267368)

English

(1S,2E,4S,8S,11R,12S)-4,11-dihydroxy-4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[10.2.1]pentadec-2-en-6-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cembrane

0 references

mass

338.245709568 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,4S,8S,11R,12S)-4,11-dihydroxy-4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[10.2.1]pentadec-2-en-6-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₄O₄

0 references

canonical SMILES

O=C1CC(C)CCC(O)C2(OC(C=CC(O)(C)C1)(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](O)[C@](C)(CC1)O2

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found in taxon

Sinularia crassa

1 reference

stated in

Bioactive cembranoids from the soft coral Sinularia crassa

Identifiers

InChI

InChI=1S/C20H34O4/c1-14(2)20-10-8-18(4,23)13-16(21)12-15(3)6-7-17(22)19(5,24-20)9-11-20/h8,10,14-15,17,22-23H,6-7,9,11-13H2,1-5H3/b10-8+/t15-,17+,18+,19-,20-/m0/s1

0 references

InChIKey

TYJFOJHXLQVEJU-HFLPQVKUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TYJFOJHXLQVEJU-HFLPQVKUSA-N

(Q105267368)

(1S,2E,4S,8S,11R,12S)-4,11-dihydroxy-4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[10.2.1]pentadec-2-en-6-one

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Identifiers

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