(Q103813579)

English

[(3aS,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(3aR,4S,5R,6R,11aR)-5-(acetyloxy)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3aH,4H,5H,10H,11H,11aH-cyclodeca[b]furan-4-yl 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

(5-Acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl) 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

406.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aR,4S,5R,6R,8Z,10S,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₆O₈

0 references

canonical SMILES

O=C(OC1C(OC(=O)C)C(O)(C(=O)C=CC(C)CC2OC(=O)C(=C)C21)C)C(=C)C

0 references

isomeric SMILES

C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2C[C@@H](C)/C=C\C(=O)[C@](C)(O)[C@@H]1OC(C)=O

0 references

found in taxon

Calea ternifolia

1 reference

stated in

Anti-Hyperglycemic Activity of Major Compounds from Calea ternifolia.

Identifiers

InChI

InChI=1S/C21H26O8/c1-10(2)19(24)29-17-16-12(4)20(25)28-14(16)9-11(3)7-8-15(23)21(6,26)18(17)27-13(5)22/h7-8,11,14,16-18,26H,1,4,9H2,2-3,5-6H3/b8-7-/t11-,14+,16-,17-,18+,21-/m0/s1

0 references

InChIKey

COWWBPRRBQOULA-NABHEWRGSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

COWWBPRRBQOULA-NABHEWRGSA-N

ChEBI ID

182236

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C21H26O8/c1-10(2)19(24)29-17-16-12(4)20(25)28-14(16)9-11(3)7-8-15(23)21(6,26)18(17)27-13(5)22/h7-8,11,14,16-18,26H,1,4,9H2,2-3,5-6H3/b8-7-/t11-,14+,16-,17-,18+,21-/m0/s1

(Q103813579)

[(3aS,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

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