(Q105143613)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₂

0 references

canonical SMILES

O=C(O)CCC12CC32CCC4(C)C(CCC4(C)C3CCC1C(=C)C)C(C)CCC=C(C)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)CCC=C(C)C)CC[C@@]24C)C[C@]13CCC(=O)O

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found in taxon

Gardenia sootepensis

2 references

stated in

Cytotoxic 3,4-seco-cycloartane triterpenes from Gardenia sootepensis.

stated in

Cytotoxic 3,4-seco-cycloartane triterpenes from Gardenia sootepensis.

Gardenia aubryi

1 reference

stated in

seco-Cycloartane triterpenes from Gardenia aubryi

Gardenia thailandica

1 reference

stated in

Cycloartane triterpenes from the exudate of Gardenia thailandica

Kadsura coccinea

1 reference

stated in

Novel seco-cycloartanes from Kadsura coccinea and the assisted autoxidation of a tri-substituted alkene

Gardenia

1 reference

stated in

Antiangiogenic activity of 3,4-seco-cycloartane triterpenes from Thai Gardenia spp. and their semi-synthetic analogs

Calycanthus

1 reference

stated in

Antiangiogenic activity of 3,4-seco-cycloartane triterpenes from Thai Gardenia spp. and their semi-synthetic analogs

Identifiers

InChI

InChI=1S/C30H48O2/c1-20(2)9-8-10-22(5)24-13-15-28(7)25-12-11-23(21(3)4)29(16-14-26(31)32)19-30(25,29)18-17-27(24,28)6/h9,22-25H,3,8,10-19H2,1-2,4-7H3,(H,31,32)/t22-,23+,24-,25+,27-,28+,29-,30+/m1/s1

0 references

InChIKey

KNVUFXYCGYEIRS-DZWGBXGJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KNVUFXYCGYEIRS-DZWGBXGJSA-N

1 reference

(Q105143613)

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

Statements

Identifiers

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