(Q105186307)

English

[(3S,4R,5R)-5-[(1R,3aR,8aS)-1,4,4-trimethyl-8-methylidene-3,3a,5,6,7,8a-hexahydro-2H-azulen-1-yl]-3-acetyloxy-2-oxooxan-4-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[3-(acetyloxy)-2-oxo-5-(1,4,4-trimethyl-8-methylidene-hexahydro-2H-azulen-1-yl)oxan-4-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

420.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₆O₆

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canonical SMILES

O=C(OCC1C(OC(=O)C)C(=O)OCC1C2(C)CCC3C2C(=C)CCCC3(C)C)C

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isomeric SMILES

C=C1CCCC(C)(C)[C@@H]2CC[C@@](C)([C@@H]3COC(=O)[C@@H](OC(C)=O)[C@H]3COC(C)=O)[C@H]12

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found in taxon

Felimida norrisi

1 reference

stated in

Diterpenes from the marine sponge Aplysilla polyrhaphis and the dorid nudibranch Chromodoris norrisi

Identifiers

InChI

InChI=1S/C24H36O6/c1-14-8-7-10-23(4,5)18-9-11-24(6,20(14)18)19-13-29-22(27)21(30-16(3)26)17(19)12-28-15(2)25/h17-21H,1,7-13H2,2-6H3/t17-,18+,19+,20+,21-,24-/m0/s1

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InChIKey

NVMIJLBYBUHQPS-DIGFTJECSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NVMIJLBYBUHQPS-DIGFTJECSA-N

1 reference

(Q105186307)

[(3S,4R,5R)-5-[(1R,3aR,8aS)-1,4,4-trimethyl-8-methylidene-3,3a,5,6,7,8a-hexahydro-2H-azulen-1-yl]-3-acetyloxy-2-oxooxan-4-yl]methyl acetate

Statements

Identifiers

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