(Q105135484)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

15-(5-Hydroperoxy-6-methylhept-6-en-2-yl)-4-hydroxy-7,12,16-trimethyl-6-(3,4,5-trihydroxyoxan-2-yl)oxypentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

636.387347992 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₆O₁₀

0 references

canonical SMILES

O=C(O)C1(C)C(OC2OCC(O)C(O)C2O)CC(O)C34CC54CCC6(C)C(CCC6(C)C5CCC13)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@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C)OO

0 references

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/C35H56O10/c1-18(2)22(45-42)8-7-19(3)20-11-12-32(5)23-9-10-24-33(6,30(40)41)26(44-29-28(39)27(38)21(36)16-43-29)15-25(37)35(24)17-34(23,35)14-13-31(20,32)4/h19-29,36-39,42H,1,7-17H2,2-6H3,(H,40,41)/t19-,20-,21-,22-,23+,24+,25+,26+,27+,28-,29+,31-,32+,33+,34+,35-/m1/s1

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InChIKey

JUWZHLSWTBIIQV-APEHWIOBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JUWZHLSWTBIIQV-APEHWIOBSA-N

(Q105135484)

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

Statements

Identifiers

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