(Q105126609)

English

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

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₃

0 references

canonical SMILES

O=C(O)CCC12CC32CCC4(C)C(CCC4(C)C3CCC1C(=C)CO)C(C)CCC=C(C)C

0 references

isomeric SMILES

C=C(CO)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@@]3(C)CC[C@]23C[C@]13CCC(=O)O

0 references

found in taxon

Gardenia aubryi

1 reference

stated in

seco-Cycloartane triterpenes from Gardenia aubryi

Gardenia sootepensis

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C30H48O3/c1-20(2)8-7-9-21(3)23-12-14-28(6)25-11-10-24(22(4)18-31)29(15-13-26(32)33)19-30(25,29)17-16-27(23,28)5/h8,21,23-25,31H,4,7,9-19H2,1-3,5-6H3,(H,32,33)/t21-,23-,24+,25-,27-,28+,29-,30+/m1/s1

0 references

InChIKey

JFCYFLMAPFEZKC-XDPIHHSESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JFCYFLMAPFEZKC-XDPIHHSESA-N

1 reference

(Q105126609)

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

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)