(Q105004121)

English

[(1R,3R,3aR,5R,6aS,7R,8R,10aS)-1,3-diacetyloxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-5-yl] (2R)-2-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1,3-bis(acetyloxy)-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-decahydronaphtho[4,4a-c]furan-5-yl 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

504.308703748 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₄O₇

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canonical SMILES

O=C(OC1OC(OC(=O)C)C23CCC(C)C(C)(CCC(=C)C=C)C3CC(OC(=O)C(C)CC)CC12)C

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isomeric SMILES

C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C[C@H]3[C@@H](OC(C)=O)O[C@H](OC(C)=O)[C@@]23CC[C@H]1C

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found in taxon

Casearia corymbosa

1 reference

stated in

Clerodane diterpenes from Casearia corymbosa stem bark

Identifiers

InChI

InChI=1S/C29H44O7/c1-9-17(3)11-13-28(8)19(5)12-14-29-23(26(33-20(6)30)36-27(29)34-21(7)31)15-22(16-24(28)29)35-25(32)18(4)10-2/h9,18-19,22-24,26-27H,1,3,10-16H2,2,4-8H3/t18-,19-,22+,23+,24+,26+,27+,28-,29-/m1/s1

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InChIKey

FXNJDKQQRAXPRJ-ZBXTWRGDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FXNJDKQQRAXPRJ-ZBXTWRGDSA-N

(Q105004121)

[(1R,3R,3aR,5R,6aS,7R,8R,10aS)-1,3-diacetyloxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-5-yl] (2R)-2-methylbutanoate

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Identifiers

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