(Q105226072)

English

(1S,3aS,5R,5aS,8S,8aS,9aR)-1,5,8a-trimethyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1,5,8a-Trimethyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

414.225368048 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,3aS,5R,5aS,8S,8aR,9aS)-1,5,8a-trimethyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₄O₈

0 references

canonical SMILES

O=C1OC2CC(C)C3CCC(OC4OC(CO)C(O)C(O)C4O)C3(C)CC2C1C

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isomeric SMILES

C[C@@H]1C(=O)O[C@H]2C[C@@H](C)[C@@H]3CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@]3(C)C[C@@H]21

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found in taxon

Carpesium faberi

1 reference

stated in

Antiproliferative and apoptotic sesquiterpene lactones from Carpesium faberi

Identifiers

InChI

InChI=1S/C21H34O8/c1-9-6-13-11(10(2)19(26)27-13)7-21(3)12(9)4-5-15(21)29-20-18(25)17(24)16(23)14(8-22)28-20/h9-18,20,22-25H,4-8H2,1-3H3/t9-,10+,11-,12+,13+,14-,15+,16-,17+,18-,20+,21+/m1/s1

0 references

InChIKey

QQVBYHXCQMSWGX-GYNVLBNLSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105226072)

(1S,3aS,5R,5aS,8S,8aS,9aR)-1,5,8a-trimethyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-2-one

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