(Q103815866)

English

(E)-3-(4-hydroxyphenyl)-1-[(1S,3R,6S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-5,5,6-trimethylhept-6-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]prop-2-en-1-one

group of stereoisomers with the chemical formula C₄₁H₆₀O₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

584.45933116 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₆₀O₂

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canonical SMILES

O=C(C=CC1=CC=C(O)C=C1)C2CCC34CC54CCC6(C)C(CCC6(C)C5CCC3C2(C)C)C(C)CCC(C(=C)C)(C)C

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isomeric SMILES

C=C(C)C(C)(C)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)[C@@H](C(=O)/C=C/c5ccc(O)cc5)CC[C@@]45C[C@@]35CC[C@]12C

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found in taxon

Scaphyglottis livida

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stated in

New triterpenoids from the orchids Scaphyglottis livida and Nidema boothii.

Identifiers

InChI

InChI=1S/C41H60O2/c1-27(2)36(4,5)21-18-28(3)31-19-22-39(9)35-17-16-34-37(6,7)32(33(43)15-12-29-10-13-30(42)14-11-29)20-23-40(34)26-41(35,40)25-24-38(31,39)8/h10-15,28,31-32,34-35,42H,1,16-26H2,2-9H3/b15-12+/t28-,31-,32-,34?,35?,38-,39+,40-,41+/m1/s1

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InChIKey

JMXMIHVPTCKCDT-NTDRGAGCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JMXMIHVPTCKCDT-NTDRGAGCSA-N

(Q103815866)

(E)-3-(4-hydroxyphenyl)-1-[(1S,3R,6S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-5,5,6-trimethylhept-6-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]prop-2-en-1-one

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Identifiers

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