(Q105254808)

English

(2R,3'aS,4'aR,8'aR,9'aR)-5-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-8'a-methyl-5'-methylidenespiro[3,4-dihydropyran-2,3'-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran]-2'-one

chemical compound

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instance of

type of chemical entity

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subclass of

5-(4-Ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)-8'a-methyl-5'-methylidenespiro[3,4-dihydropyran-2,3'-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran]-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)CCCC(=C)C3CC2C41OC=C(CC4)C5CCC(C=C)(C)C(C(=C)C)C5

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isomeric SMILES

C=C[C@@]1(C)CC[C@H](C2=CO[C@@]3(CC2)C(=O)O[C@@H]2C[C@@]4(C)CCCC(=C)[C@H]4C[C@@H]23)C[C@@H]1C(=C)C

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found in taxon

Helenium autumnale

1 reference

stated in

Neuartige Triterpen-Lactone ausHelenium autumnaleL.

Identifiers

InChI

InChI=1S/C30H42O3/c1-7-28(5)13-10-21(15-23(28)19(2)3)22-11-14-30(32-18-22)25-16-24-20(4)9-8-12-29(24,6)17-26(25)33-27(30)31/h7,18,21,23-26H,1-2,4,8-17H2,3,5-6H3/t21-,23+,24+,25-,26+,28-,29+,30+/m0/s1

0 references

InChIKey

SKGIOFNKKRTUBS-GVKNRDDCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SKGIOFNKKRTUBS-GVKNRDDCSA-N

(Q105254808)

(2R,3'aS,4'aR,8'aR,9'aR)-5-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-8'a-methyl-5'-methylidenespiro[3,4-dihydropyran-2,3'-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran]-2'-one

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