(Q105176350)

English

(1S,3R,8S,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2S)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cycloartane triterpenoid

0 references

mass

424.370516156 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,3R,8S,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₀H₄₈O

0 references

canonical SMILES

O=C1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1(C)C)C(C)CCC=C(C)C

0 references

isomeric SMILES

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

0 references

found in taxon

Euphorbia plumerioides

1 reference

stated in

Ent-14[S],16β,17-trihydroxyatisan-3-one and further constituents from Euphorbia fidjiana

Gardenia storckii

1 reference

stated in

Triterpenoids in bud exudates of FijianGardenia species

Identifiers

InChI

InChI=1S/C30H48O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h9,21-24H,8,10-19H2,1-7H3/t21-,22+,23+,24-,27+,28-,29+,30-/m0/s1

0 references

InChIKey

NAJCQAAOHKVCES-XGUHIEMNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NAJCQAAOHKVCES-XGUHIEMNSA-N

(Q105176350)

(1S,3R,8S,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2S)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

Statements

Identifiers

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