(Q105152164)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3,5-dihydroxy-2-{[1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-en-1-yl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy}oxan-4-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

474.261753556 dalton

1 reference

2 references

inferred from InChIKey

1 reference

C₂₇H₃₈O₇

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canonical SMILES

O=C(OC1C(O)COC(OC=2C(O)=C3C4=C(C2C)C(C=C(C)C)CC(C)C4CCC3C)C1O)C

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isomeric SMILES

CC(=O)O[C@H]1[C@@H](O)CO[C@H](Oc2c(C)c3c4c(c2O)[C@@H](C)CC[C@@H]4[C@@H](C)C[C@H]3C=C(C)C)[C@@H]1O

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found in taxon

Antillogorgia elisabethae

1 reference

stated in

New pseudopterosin and seco-pseudopterosin diterpene glycosides from two Colombian isolates of Pseudopterogorgia elisabethae and their diverse biological activities.

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(23(20)30)34-27-24(31)26(33-16(6)28)19(29)11-32-27/h9,13-14,17-19,24,26-27,29-31H,7-8,10-11H2,1-6H3/t13-,14-,17+,18+,19-,24+,26-,27+/m0/s1

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InChIKey

LIGCKFITVVCGPV-BTQVVTFUSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

LIGCKFITVVCGPV-BTQVVTFUSA-N

1 reference

(Q105152164)

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

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Identifiers

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