(Q105015599)

English

(2R,3'aS,5'S,8'aR,9'aR)-5-[(2S,4aS,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]-5',8'a-dimethylspiro[3,4-dihydropyran-2,3'-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran]-2'-one

chemical compound

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instance of

type of chemical entity

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subclass of

5'-(4a-methyl-8-methylidene-octahydronaphthalen-2-yl)-5,8a-dimethyl-3',4',5,6,7,8,9,9a-octahydro-3aH-spiro[naphtho[2,3-b]furan-3,2'-pyran]-2-one

1 reference

based on heuristic

inferred from SMILES

mass

450.313395204 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₂O₃

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canonical SMILES

O=C1OC2CC3(C(=CC2C41OC=C(CC4)C5CCC6(C)CCCC(=C)C6C5)C(C)CCC3)C

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isomeric SMILES

C=C1CCC[C@@]2(C)CC[C@H](C3=CO[C@@]4(CC3)C(=O)O[C@@H]3C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]34)C[C@@H]12

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found in taxon

Helenium autumnale

1 reference

stated in

Neuartige Triterpen-Lactone ausHelenium autumnaleL.

Identifiers

InChI

InChI=1S/C30H42O3/c1-19-7-5-11-28(3)13-9-21(15-23(19)28)22-10-14-30(32-18-22)25-16-24-20(2)8-6-12-29(24,4)17-26(25)33-27(30)31/h16,18,20-21,23,25-26H,1,5-15,17H2,2-4H3/t20-,21-,23-,25-,26+,28-,29+,30+/m0/s1

0 references

InChIKey

GQVQCJCFCSLJQU-XLCZPREKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GQVQCJCFCSLJQU-XLCZPREKSA-N

(Q105015599)

(2R,3'aS,5'S,8'aR,9'aR)-5-[(2S,4aS,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]-5',8'a-dimethylspiro[3,4-dihydropyran-2,3'-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran]-2'-one

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Identifiers

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