(Q105208179)

English

[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(E,2S)-6-hydroxy-6-methylhept-4-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[15-(6-Hydroxy-6-methylhept-4-en-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

484.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(23Z)-3beta-Acetoxy-5alpha-cycloart-23-en-25-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₅₂O₃

0 references

canonical SMILES

O=C(OC1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1(C)C)C(C)CC=CC(O)(C)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@@H](C)C/C=C/C(C)(C)O)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C

0 references

found in taxon

Euphorbia oxyphylla

1 reference

stated in

Triterpenes from Euphorbia broteri

Identifiers

InChI

InChI=1S/C32H52O3/c1-21(10-9-15-27(3,4)34)23-13-16-30(8)25-12-11-24-28(5,6)26(35-22(2)33)14-17-31(24)20-32(25,31)19-18-29(23,30)7/h9,15,21,23-26,34H,10-14,16-20H2,1-8H3/b15-9+/t21-,23+,24-,25-,26-,29+,30-,31+,32-/m0/s1

0 references

InChIKey

PFVNANMTCLAEEE-VNPFGHKOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PFVNANMTCLAEEE-VNPFGHKOSA-N

(Q105208179)

[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(E,2S)-6-hydroxy-6-methylhept-4-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

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