(Q105286538)

English

(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(5R)-5,6-dimethylhept-1-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

15-(5,6-Dimethylhept-1-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol

1 reference

based on heuristic

inferred from SMILES

mass

440.401816284 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₂O

0 references

canonical SMILES

OC1CCC23CC43CCC5(C)C(C(=C)CCC(C)C(C)C)CCC5(C)C4CCC2C1(C)C

0 references

isomeric SMILES

C=C(CC[C@@H](C)C(C)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 tirucalli

1 reference

stated in

The Structure and Absolute Configuration of Cyclotirucanenol, a New Triterpene from Euphorbia tirucalli Linn

Identifiers

InChI

InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20-21,23-26,32H,4,9-19H2,1-3,5-8H3/t21-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1

0 references

InChIKey

VHOHRPODRURUEC-ACFCCJRESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VHOHRPODRURUEC-ACFCCJRESA-N

(Q105286538)

(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(5R)-5,6-dimethylhept-1-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol

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Identifiers

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