(Q105178646)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

490.3658247 dalton

1 reference

1 reference

C₃₀H₅₀O₅

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Gardenia aubryi

1 reference

stated in

seco-Cycloartane triterpenes from Gardenia aubryi

Identifiers

InChI

InChI=1S/C30H50O5/c1-19(7-10-24(32)26(3,4)35)21-11-13-28(6)23-9-8-22(20(2)17-31)29(14-12-25(33)34)18-30(23,29)16-15-27(21,28)5/h19,21-24,31-32,35H,2,7-18H2,1,3-6H3,(H,33,34)/t19-,21-,22+,23-,24-,27-,28+,29-,30+/m1/s1

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InChIKey

NFSDEMPRAKPPFK-HCQHQNCXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NFSDEMPRAKPPFK-HCQHQNCXSA-N

1 reference

(Q105178646)

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

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Identifiers

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