(Q105381365)

English

[(1S,2S,3R,4S,7S,8R,11R,14R,17S)-14-hydroxy-4,8,11-trimethyl-15-methylidene-12-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] octanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(14-Hydroxy-4,8,11-trimethyl-15-methylidene-12-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl) octanoate

1 reference

based on heuristic

inferred from SMILES

mass

476.313789128 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₄O₆

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canonical SMILES

O=C(OC1(C)CCC2C(C)COC3(C(=O)CC(O)C(=C)CC4OC3C2C41)C)CCCCCCC

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isomeric SMILES

C=C1C[C@@H]2O[C@H]3[C@H]4[C@@H](CC[C@](C)(OC(=O)CCCCCCC)[C@@H]24)[C@@H](C)CO[C@@]3(C)C(=O)C[C@H]1O

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found in taxon

Briareum asbestinum

1 reference

stated in

Studies on the minor constituents of the Caribbean gorgonian octocoral Briareum asbestinum Pallas. Isolation and structure determination of the eunicellin-based diterpenoids briarellins E--I

Identifiers

InChI

InChI=1S/C28H44O6/c1-6-7-8-9-10-11-23(31)34-27(4)13-12-19-18(3)16-32-28(5)22(30)15-20(29)17(2)14-21-25(27)24(19)26(28)33-21/h18-21,24-26,29H,2,6-16H2,1,3-5H3/t18-,19-,20+,21-,24-,25-,26-,27-,28-/m0/s1

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InChIKey

ZQASQTQDBVSJFZ-OSTHKSCDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZQASQTQDBVSJFZ-OSTHKSCDSA-N

1 reference

(Q105381365)

[(1S,2S,3R,4S,7S,8R,11R,14R,17S)-14-hydroxy-4,8,11-trimethyl-15-methylidene-12-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] octanoate

Statements

Identifiers

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