(Q104973150)

English

[(3aR,4S,5aR,6S,9S,9aS,9bS)-6-[2-(hydroxymethyl)prop-2-enoyloxy]-5a-methyl-3-methylidene-2-oxospiro[3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-9,2'-oxirane]-4-yl] 3-methylbutanoate

chemical compound

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instance of

type of chemical entity

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subclass of

[6-[2-(Hydroxymethyl)prop-2-enoyloxy]-5a-methyl-3-methylidene-2-oxospiro[3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-9,2'-oxirane]-4-yl] 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

448.209717984 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₂O₈

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canonical SMILES

O=C(OC1CCC2(OC2)C3C4OC(=O)C(=C)C4C(OC(=O)CC(C)C)CC13C)C(=C)CO

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isomeric SMILES

C=C(CO)C(=O)O[C@H]1CC[C@@]2(CO2)[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)CC(C)C)C[C@@]12C

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found in taxon

Dimerostemma brasilianum

1 reference

stated in

Eudesmanolides from Dimerostemma brasilianum

Identifiers

InChI

InChI=1S/C24H32O8/c1-12(2)8-17(26)30-15-9-23(5)16(31-21(27)13(3)10-25)6-7-24(11-29-24)20(23)19-18(15)14(4)22(28)32-19/h12,15-16,18-20,25H,3-4,6-11H2,1-2,5H3/t15-,16-,18+,19-,20+,23-,24+/m0/s1

0 references

InChIKey

CZUIWBITAJXBIZ-CUCGTHSTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CZUIWBITAJXBIZ-CUCGTHSTSA-N

(Q104973150)

[(3aR,4S,5aR,6S,9S,9aS,9bS)-6-[2-(hydroxymethyl)prop-2-enoyloxy]-5a-methyl-3-methylidene-2-oxospiro[3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-9,2'-oxirane]-4-yl] 3-methylbutanoate

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