(Q104920872)

English

[(3S,4R,5R,6R)-4-acetyloxy-6-[[(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]-5-hydroxyoxan-3-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

516.27231824 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3S,4R,5R,6R)-4-acetyloxy-6-[[(4R,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]-5-hydroxyoxan-3-yl] acetate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₉H₄₀O₈

0 references

canonical SMILES

O=C(OC1COC(OC=2C(O)=C3C4=C(C2C)C(C=C(C)C)CC(C)C4CCC3C)C(O)C1OC(=O)C)C

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isomeric SMILES

CC(=O)O[C@H]1CO[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](O)[C@H]1OC(C)=O

0 references

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/C29H40O8/c1-13(2)10-19-11-15(4)20-9-8-14(3)22-24(20)23(19)16(5)27(25(22)32)37-29-26(33)28(36-18(7)31)21(12-34-29)35-17(6)30/h10,14-15,19-21,26,28-29,32-33H,8-9,11-12H2,1-7H3/t14-,15-,19+,20+,21-,26+,28-,29+/m0/s1

0 references

InChIKey

AXXBUCAUNFEVQG-FTGYJMAPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AXXBUCAUNFEVQG-FTGYJMAPSA-N

1 reference

(Q104920872)

[(3S,4R,5R,6R)-4-acetyloxy-6-[[(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]-5-hydroxyoxan-3-yl] acetate

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