(Q105378839)

English

(Z,6S)-6-[(3S,3aS,5aS,6S,7R,9bS)-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,5a,7,8-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

6-[6-(3-Methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,5a,7,8-octahydrocyclopenta[a]naphthalen-3-yl]-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(C3=CCC(C(=C)C)C(C)(CCC(=O)OC)C3CCC12C)C)C

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isomeric SMILES

C=C(C)[C@H]1CC=C2[C@@H](CC[C@@]3(C)[C@H]([C@@H](C)CC/C=C(/C)C(=O)O)CC[C@]23C)[C@@]1(C)CCC(=O)OC

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found in taxon

Aglaia leucophylla

1 reference

stated in

Secotirucallane triterpenes from the stem bark of Aglaia leucophylla

Identifiers

InChI

InChI=1S/C31H48O4/c1-20(2)23-12-13-26-25(29(23,5)17-16-27(32)35-8)15-19-30(6)24(14-18-31(26,30)7)21(3)10-9-11-22(4)28(33)34/h11,13,21,23-25H,1,9-10,12,14-19H2,2-8H3,(H,33,34)/b22-11-/t21-,23+,24-,25+,29-,30-,31+/m0/s1

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InChIKey

ZLCJPEBHLRXQLF-DPJVOJJUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZLCJPEBHLRXQLF-DPJVOJJUSA-N

(Q105378839)

(Z,6S)-6-[(3S,3aS,5aS,6S,7R,9bS)-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,5a,7,8-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid

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Identifiers

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