(Q105347460)

English

[(1S,3aS,5R,6S,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-5-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

botrydial sesquiterpenoid

0 references

mass

310.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₆O₅

0 references

canonical SMILES

O=CC1C(C)C(OC(=O)C)CC2C(C)(C)CC(C=O)(C)C12O

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isomeric SMILES

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

0 references

found in taxon

Botrytis cinerea

1 reference

stated in

Botrydial, ein Sesquiterpen-Antibiotikum aus der Nährlösung des PilzesBotrytis cinerea

Identifiers

InChI

InChI=1S/C17H26O5/c1-10-12(7-18)17(21)14(6-13(10)22-11(2)20)15(3,4)8-16(17,5)9-19/h7,9-10,12-14,21H,6,8H2,1-5H3/t10-,12-,13+,14-,16+,17+/m0/s1

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InChIKey

YEZCFSPPFDTKFE-NDPCMJKQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YEZCFSPPFDTKFE-NDPCMJKQSA-N

(Q105347460)

[(1S,3aS,5R,6S,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-5-yl] acetate

Statements

Identifiers

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