(Q105154495)

English

3-[[(2S,4aS,5R,8aS)-1,1,4a,6-tetramethyl-5-[(E)-3-methyl-5-[(3S)-3-methylpentanoyl]oxypent-3-enyl]-2,3,4,5,8,8a-hexahydronaphthalen-2-yl]oxy]-3-oxopropanoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-[[1,1,4a,6-Tetramethyl-5-[3-methyl-5-(3-methylpentanoyloxy)pent-3-enyl]-2,3,4,5,8,8a-hexahydronaphthalen-2-yl]oxy]-3-oxopropanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

490.329439192 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₆O₆

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canonical SMILES

O=C(O)CC(=O)OC1CCC2(C)C(C(=CCC2C1(C)C)C)CCC(=CCOC(=O)CC(C)CC)C

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isomeric SMILES

CC[C@H](C)CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](OC(=O)CC(=O)O)CC[C@@]12C

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found in taxon

Corymbium villosum

1 reference

stated in

Macrolide diterpenes and other ent-labdanes from corymbium villosum

Identifiers

InChI

InChI=1S/C29H46O6/c1-8-19(2)17-26(32)34-16-14-20(3)9-11-22-21(4)10-12-23-28(5,6)24(13-15-29(22,23)7)35-27(33)18-25(30)31/h10,14,19,22-24H,8-9,11-13,15-18H2,1-7H3,(H,30,31)/b20-14+/t19-,22+,23+,24-,29-/m0/s1

0 references

InChIKey

LNTHUFPQIZBBTI-HKELCPACSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105154495)

3-[[(2S,4aS,5R,8aS)-1,1,4a,6-tetramethyl-5-[(E)-3-methyl-5-[(3S)-3-methylpentanoyl]oxypent-3-enyl]-2,3,4,5,8,8a-hexahydronaphthalen-2-yl]oxy]-3-oxopropanoic acid

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Identifiers

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