(Q105122796)

English

(1R,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-[(E)-3-methyl-5-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

(1R,4aS,6R)-6-hydroxy-1,4a,6-trimethyl-5-[(3E)-3-methyl-5-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]pent-3-en-1-yl]-hexahydro-2H-naphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

6-hydroxy-1,4a,6-trimethyl-5-[3-methyl-5-(3-methyl-5-oxo-2H-furan-2-yl)pent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

418.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,4aR,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-[(E)-3-methyl-5-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₈O₅

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canonical SMILES

O=C1OC(C(=C1)C)CC=C(C)CCC2C(O)(C)CCC3C(C(=O)O)(C)CCCC23C

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isomeric SMILES

CC1=CC(=O)O[C@@H]1C/C=C(\C)CC[C@@H]1[C@@]2(C)CCC[C@@](C)(C(=O)O)[C@@H]2CC[C@@]1(C)O

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found in taxon

Salvia mirzayanii

1 reference

stated in

Structure and absolute stereochemistry of salvimirzacolide, a new sesterterpene from Salvia mirzayanii

Identifiers

InChI

InChI=1S/C25H38O5/c1-16(7-9-18-17(2)15-21(26)30-18)8-10-20-23(3)12-6-13-24(4,22(27)28)19(23)11-14-25(20,5)29/h7,15,18-20,29H,6,8-14H2,1-5H3,(H,27,28)/b16-7+/t18-,19-,20-,23+,24-,25-/m1/s1

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InChIKey

IYKWRWFFFLJWCZ-UOIPBLJYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IYKWRWFFFLJWCZ-UOIPBLJYSA-N

1 reference

(Q105122796)

(1R,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-[(E)-3-methyl-5-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

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