(Q104956436)

English

[(4R,6S,6aR,9S)-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-2-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3,6,9-trimethyl-4-(2-methylprop-1-enyl)-2-(3,4,5-trihydroxyoxan-2-yl)oxy-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

474.261753556 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₈O₇

0 references

canonical SMILES

O=C(OC=1C(OC2OCC(O)C(O)C2O)=C(C3=C4C1C(C)CCC4C(C)CC3C=C(C)C)C)C

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isomeric SMILES

CC(=O)Oc1c(O[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c(C)c2c3c1[C@@H](C)CC[C@@H]3[C@@H](C)C[C@@H]2C=C(C)C

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found in taxon

Antillogorgia elisabethae

1 reference

stated in

New Antibacterial Diterpenes fromPseudopterogorgia elisabethae

Identifiers

InChI

InChI=1S/C27H38O7/c1-12(2)9-17-10-14(4)18-8-7-13(3)20-22(18)21(17)15(5)25(26(20)33-16(6)28)34-27-24(31)23(30)19(29)11-32-27/h9,13-14,17-19,23-24,27,29-31H,7-8,10-11H2,1-6H3/t13-,14-,17-,18+,19-,23+,24-,27+/m0/s1

0 references

InChIKey

CFEIHTABPZLNQZ-AHVPAXKDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CFEIHTABPZLNQZ-AHVPAXKDSA-N

1 reference

(Q104956436)

[(4R,6S,6aR,9S)-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-2-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-yl] acetate

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