(Q105206727)

English

(Z,6R)-6-[(1S,4R,5R,8S,9S,12S,13R)-13-(3-methoxy-3-oxopropyl)-4,8-dimethyl-12-prop-1-en-2-yl-5-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-[13-(3-Methoxy-3-oxopropyl)-4,8-dimethyl-12-prop-1-en-2-yl-5-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

484.355260016 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₈O₄

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canonical SMILES

O=C(O)C(=CCCC(C)C1CCC2(C)C3CCC(C(=C)C)C4(CCC(=O)OC)CC34CCC12C)C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]24C)C[C@]13CCC(=O)OC

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found in taxon

Illicium dunnianum

1 reference

stated in

Phytochemistry of Illicium dunnianum and the systematic position of the illiciaceae

Identifiers

InChI

InChI=1S/C31H48O4/c1-20(2)23-11-12-25-29(6)15-13-24(21(3)9-8-10-22(4)27(33)34)28(29,5)17-18-31(25)19-30(23,31)16-14-26(32)35-7/h10,21,23-25H,1,8-9,11-19H2,2-7H3,(H,33,34)/b22-10-/t21-,23+,24-,25+,28-,29+,30-,31+/m1/s1

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InChIKey

PDSDFKBIZPYPJK-YAPQMYKGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PDSDFKBIZPYPJK-YAPQMYKGSA-N

(Q105206727)

(Z,6R)-6-[(1S,4R,5R,8S,9S,12S,13R)-13-(3-methoxy-3-oxopropyl)-4,8-dimethyl-12-prop-1-en-2-yl-5-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoic acid

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