(Q105120644)

English

(6R)-6-[(1S,3R,6S,8R,11R,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-1-en-3-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

6-(6-Hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-1-en-3-one

1 reference

based on heuristic

inferred from SMILES

mass

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(6S)-6-[(1S,3R,6S,8S,11R,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-1-en-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3beta-Hydroxycycloart-25-en-24-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₂

0 references

canonical SMILES

O=C(C(=C)C)CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC54CC35CCC12C

0 references

isomeric SMILES

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

0 references

found in taxon

Euphorbia cyparissias

1 reference

stated in

Biologically Active Compounds from the Euphorbiaceae; 2. Two Triterpenoids ofEuphorbia cyparissias

Identifiers

InChI

InChI=1S/C30H48O2/c1-19(2)22(31)9-8-20(3)21-12-14-28(7)24-11-10-23-26(4,5)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)6/h20-21,23-25,32H,1,8-18H2,2-7H3/t20-,21-,23+,24-,25+,27-,28+,29-,30+/m1/s1

0 references

InChIKey

IUKHRGYJJZRAQW-BNGBPTEYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IUKHRGYJJZRAQW-BNGBPTEYSA-N

(Q105120644)

(6R)-6-[(1S,3R,6S,8R,11R,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-1-en-3-one

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Identifiers

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