(Q105169028)

English

[(2S,3R,4S,5R,6S)-6-[(3R)-5-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-[5-(2,5,5,8a-Tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpent-1-en-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

478.329439192 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(13R)-13-(4-O-Acetyl-beta-D-fucopyranosyloxy)labda-7,14-diene

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(2S,3S,4R,5R,6S)-6-[(3R)-5-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₆O₆

0 references

canonical SMILES

O=C(OC1C(OC(OC(C=C)(C)CCC2C(=CCC3C(C)(C)CCCC23C)C)C(O)C1O)C)C

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isomeric SMILES

C=C[C@@](C)(CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C)O[C@@H]1O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]1O

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found in taxon

Aster oharai

2 references

stated in

Five new labdane diterpenes from Aster oharai

stated in

Five new labdane diterpenes from Aster oharai

Aster spathulifolius

2 references

stated in

Five new labdane diterpenes from Aster oharai

stated in

Five new labdane diterpenes from Aster oharai

Identifiers

InChI

InChI=1S/C28H46O6/c1-9-27(7,34-25-23(31)22(30)24(18(3)32-25)33-19(4)29)16-13-20-17(2)11-12-21-26(5,6)14-10-15-28(20,21)8/h9,11,18,20-25,30-31H,1,10,12-16H2,2-8H3/t18-,20-,21-,22-,23+,24-,25-,27-,28+/m0/s1

0 references

InChIKey

MOOCYTZVPSLJPZ-IDYXLRCJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MOOCYTZVPSLJPZ-IDYXLRCJSA-N

1 reference

(Q105169028)

[(2S,3R,4S,5R,6S)-6-[(3R)-5-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate

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