(Q104974897)

English

(1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-15-[(2R,5R)-5-hydroperoxy-6-methylhept-6-en-2-yl]-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid

chemical compound

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instance of

type of chemical entity

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1 reference

15-(5-Hydroperoxy-6-methylhept-6-en-2-yl)-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

504.345089256 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₆

0 references

canonical SMILES

O=C(O)C1(C)C(O)CC(O)C23CC43CCC5(C)C(CCC5(C)C4CCC12)C(C)CCC(OO)C(=C)C

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isomeric SMILES

C=C(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C)OO

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found in taxon

Markhamia lutea

1 reference

stated in

Hydroperoxy-cycloartane triterpenoids from the leaves of Markhamia lutea, a plant ingested by wild chimpanzees

Identifiers

InChI

InChI=1S/C30H48O6/c1-17(2)20(36-35)8-7-18(3)19-11-12-27(5)21-9-10-22-28(6,25(33)34)23(31)15-24(32)30(22)16-29(21,30)14-13-26(19,27)4/h18-24,31-32,35H,1,7-16H2,2-6H3,(H,33,34)/t18-,19-,20-,21+,22+,23+,24+,26-,27+,28+,29+,30-/m1/s1

0 references

InChIKey

DBWPILOLPUDSNJ-XJLZVQPFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DBWPILOLPUDSNJ-XJLZVQPFSA-N

(Q104974897)

(1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-15-[(2R,5R)-5-hydroperoxy-6-methylhept-6-en-2-yl]-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid

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Identifiers

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