(Q76009966)

English

[(1R,2S,4S,10R,12R,14R,15R)-7-formyl-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cembrane

0 references

mass

416.147117728 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,4S,10R,12R,14R,15R)-7-formyl-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2S,4S,10R,12S,14R,15R)-7-Formyl-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₄O₈

0 references

canonical SMILES

O=CC=1C=C2OC1CC(C(=C)C)CC(OC(=O)C)C34OC4C(OC3=O)CC5(OC25)C

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isomeric SMILES

CC(=C)[C@H]1C[C@@H]([C@]23[C@H](O2)[C@@H](C[C@@]4([C@@H](O4)C5=CC(=C(C1)O5)C=O)C)OC3=O)OC(=O)C

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found in taxon

Leptogorgia alba

1 reference

stated in

Leptolide, a new furanocembranolide diterpene from Leptogorgia alba.

Leptogorgia laxa

1 reference

stated in

Cembrane diterpenes from the gorgonian Leptogorgia laxa.

Leptogorgia violacea

1 reference

stated in

Chemical defenses of the endemic Brazilian gorgonian Lophogorgia violacea Pallas (Octocorallia, Gorgonacea)

Identifiers

InChI

InChI=1S/C22H24O8/c1-10(2)12-5-14-13(9-23)6-15(27-14)18-21(4,29-18)8-16-19-22(30-19,20(25)28-16)17(7-12)26-11(3)24/h6,9,12,16-19H,1,5,7-8H2,2-4H3/t12-,16-,17+,18+,19-,21-,22-/m1/s1

0 references

InChIKey

KGRIGHVGXOOCOY-ALYDTWDZSA-N

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CAS Registry Number

78697-56-0

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

108179

1 reference

matched by identifier from

InChIKey

KGRIGHVGXOOCOY-ALYDTWDZSA-N

1 reference

1 reference

matched by identifier from

InChIKey

KGRIGHVGXOOCOY-ALYDTWDZSA-N

(Q76009966)

[(1R,2S,4S,10R,12R,14R,15R)-7-formyl-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2-yl] acetate

Statements

Identifiers

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