(Q105031280)

English

2-Propenoic acid, 3-((3S,3aS,4R,5aR,6R,6aR,9aS,9bR,9cR,10aR)-4-(acetyloxy)-3-(3-furanyl)dodecahydro-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxo-3H-furo(3',2':4,5)cyclopent(1,2-f)oxireno(d)-2-benzopyran-6-yl)-, methyl ester, (2Z)-

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 3-[9-acetyloxy-7-(furan-3-yl)-13,17-dihydroxy-1,8,12,15,15-pentamethyl-5,14-dioxo-3,6,16-trioxapentacyclo[9.6.0.02,4.02,8.013,17]heptadecan-12-yl]prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

574.205026528 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (Z)-3-[(1R,2R,4S,7S,8S,9R,11R,12S,13R,17S)-9-acetyloxy-7-(furan-3-yl)-13,17-dihydroxy-1,8,12,15,15-pentamethyl-5,14-dioxo-3,6,16-trioxapentacyclo[9.6.0.02,4.02,8.013,17]heptadecan-12-yl]prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₄O₁₂

0 references

canonical SMILES

O=C(OC)C=CC1(C)C2CC(OC(=O)C)C3(C)C(OC(=O)C4OC43C2(C)C5(O)OC(C(=O)C51O)(C)C)C6=COC=C6

0 references

isomeric SMILES

COC(=O)/C=C\[C@]1(C)[C@H]2C[C@@H](OC(C)=O)[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@]2(C)[C@]2(O)OC(C)(C)C(=O)[C@@]21O

0 references

found in taxon

Harrisonia abyssinica

1 reference

stated in

Structural Revision of Harrisonin and 12 β-Αcetoxyharrisonin, Two Limonoids fromHarrisonia abyssinica

Identifiers

InChI

InChI=1S/C29H34O12/c1-14(30)38-17-12-16-24(4,10-8-18(31)36-7)27(34)22(33)23(2,3)41-29(27,35)26(16,6)28-20(40-28)21(32)39-19(25(17,28)5)15-9-11-37-13-15/h8-11,13,16-17,19-20,34-35H,12H2,1-7H3/b10-8-/t16-,17-,19+,20-,24-,25+,26-,27+,28-,29+/m1/s1

0 references

InChIKey

HOHMQEBYHJKCEM-BSMXYMBBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HOHMQEBYHJKCEM-BSMXYMBBSA-N

1 reference

(Q105031280)

2-Propenoic acid, 3-((3S,3aS,4R,5aR,6R,6aR,9aS,9bR,9cR,10aR)-4-(acetyloxy)-3-(3-furanyl)dodecahydro-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxo-3H-furo(3',2':4,5)cyclopent(1,2-f)oxireno(d)-2-benzopyran-6-yl)-, methyl ester, (2Z)-

Statements

Identifiers

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