(Q105159100)

English

[(1S,3R,6S,7S,8S,11R,12S,15R,16R)-15-[(2R,5R)-5-ethyl-5,6-dimethylhept-6-en-2-yl]-7,12,16-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[15-(5-Ethyl-5,6-dimethylhept-6-en-2-yl)-7,12,16-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

600.45424578 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₆₀O₃

0 references

canonical SMILES

O=C(OC1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1C)C(C)CCC(C(=C)C)(C)CC)C=CC6=CC=C(O)C=C6

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isomeric SMILES

C=C(C)[C@](C)(CC)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4[C@H](C)[C@@H](OC(=O)/C=C\c5ccc(O)cc5)CC[C@@]45C[C@@]35CC[C@]12C

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found in taxon

Panisea uniflora

1 reference

stated in

A steroidal ester from Coelogyne uniflora

Identifiers

InChI

InChI=1S/C41H60O3/c1-9-37(6,27(2)3)21-18-28(4)32-19-22-39(8)35-16-15-33-29(5)34(44-36(43)17-12-30-10-13-31(42)14-11-30)20-23-40(33)26-41(35,40)25-24-38(32,39)7/h10-14,17,28-29,32-35,42H,2,9,15-16,18-26H2,1,3-8H3/b17-12-/t28-,29+,32-,33+,34+,35-,37-,38-,39+,40-,41+/m1/s1

0 references

InChIKey

LXVXTMHMMKQUMB-XXFJLJDASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LXVXTMHMMKQUMB-XXFJLJDASA-N

(Q105159100)

[(1S,3R,6S,7S,8S,11R,12S,15R,16R)-15-[(2R,5R)-5-ethyl-5,6-dimethylhept-6-en-2-yl]-7,12,16-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate

Statements

Identifiers

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