(Q104984340)

English

(3aR,5aS,9R,9aR,9bR)-9-[[(3S,3aS,6aS,9aS,9bS)-3-hydroxy-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-3-yl]methyl]-5a,9-dimethyl-3-methylidene-4,5,7,8,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2,6-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

9-[(3-hydroxy-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-3-yl)methyl]-5a,9-dimethyl-3-methylidene-4,5,7,8,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2,6-dione

1 reference

based on heuristic

inferred from SMILES

mass

494.266838936 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aS,5aR,9S,9aS,9bS)-9-[[(3R,3aR,6aR,9aR,9bR)-3-hydroxy-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-3-yl]methyl]-5a,9-dimethyl-3-methylidene-4,5,7,8,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2,6-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₃₈O₆

0 references

canonical SMILES

O=C1OC2C(C1=C)CCC3(C(=O)CCC(C)(CC4(O)C(=O)OC5C6C(=C)CCC6C(=C)CCC54)C23)C

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isomeric SMILES

C=C1CC[C@H]2[C@@H](OC(=O)[C@]2(O)C[C@@]2(C)CCC(=O)[C@@]3(C)CC[C@@H]4C(=C)C(=O)O[C@H]4[C@@H]32)[C@@H]2C(=C)CC[C@H]12

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found in taxon

Aucklandia costus

1 reference

stated in

Cytotoxic sesquiterpene lactones from the root of Saussurea lappa

Aucklandia lappa

1 reference

stated in

Cytotoxic sesquiterpene lactones from the root of Saussurea lappa

Saussurea costus

1 reference

stated in

Cytotoxic sesquiterpene lactones from the root of Saussurea lappa

Dolomiaea costus

1 reference

stated in

Cytotoxic sesquiterpene lactones from the root of Saussurea lappa

Identifiers

InChI

InChI=1S/C30H38O6/c1-15-7-9-20-24(22-16(2)6-8-18(15)22)36-27(33)30(20,34)14-28(4)12-11-21(31)29(5)13-10-19-17(3)26(32)35-23(19)25(28)29/h18-20,22-25,34H,1-3,6-14H2,4-5H3/t18-,19-,20+,22-,23-,24-,25-,28-,29-,30+/m1/s1

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InChIKey

DLIISCBVNDNVDV-NCONKKRKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104984340)

(3aR,5aS,9R,9aR,9bR)-9-[[(3S,3aS,6aS,9aS,9bS)-3-hydroxy-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-3-yl]methyl]-5a,9-dimethyl-3-methylidene-4,5,7,8,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2,6-dione

Statements

Identifiers

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