(Q104988166)

English

2-[(1S,2R,5R,7S,8S,11S,12R)-7-acetyloxy-2,8,11-trihydroxy-2,8,12-trimethyl-15-oxabicyclo[10.2.1]pentadecan-5-yl]prop-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cembrane

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mass

428.241018112 dalton

1 reference

1 reference

C₂₂H₃₆O₈

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canonical SMILES

O=C(O)C(=C)C1CCC(O)(C)C2OC(C)(CC2)C(O)CCC(O)(C)C(OC(=O)C)C1

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isomeric SMILES

C=C(C(=O)O)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O2)[C@@H](O)CC[C@](C)(O)[C@@H](OC(C)=O)C1

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found in taxon

Dendronephthya

1 reference

stated in

Dendronpholides A-R, cembranoid diterpenes from the chinese soft coral Dendronephthya sp

Identifiers

InChI

InChI=1S/C22H36O8/c1-13(19(25)26)15-6-9-20(3,27)17-8-11-22(5,30-17)16(24)7-10-21(4,28)18(12-15)29-14(2)23/h15-18,24,27-28H,1,6-12H2,2-5H3,(H,25,26)/t15-,16+,17+,18+,20-,21+,22-/m1/s1

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InChIKey

DTBIJVSZQRYFFB-LGOXWGFVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DTBIJVSZQRYFFB-LGOXWGFVSA-N

(Q104988166)

2-[(1S,2R,5R,7S,8S,11S,12R)-7-acetyloxy-2,8,11-trihydroxy-2,8,12-trimethyl-15-oxabicyclo[10.2.1]pentadecan-5-yl]prop-2-enoic acid

Statements

Identifiers

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