(Q105175705)

English

(1S,3R,6S,7S,8R,11S,12S,15R,16R)-15-[(5R)-5-ethyl-6-methylhept-1-en-2-yl]-7,12,16-trimethylpentacyclo[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-ethyl-6-methylhept-1-en-2-yl)-7,12,16-trimethylpentacyclo[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(CC)C(C)C)CCC5(C)C4CCC2C1C

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isomeric SMILES

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

0 references

found in taxon

Euphorbia caducifolia

1 reference

stated in

Cyclocaducinol, a cycloartane type triterpene from Euphorbia caducifolia

Identifiers

InChI

InChI=1S/C31H52O/c1-8-23(20(2)3)10-9-21(4)24-13-15-29(7)27-12-11-25-22(5)26(32)14-16-30(25)19-31(27,30)18-17-28(24,29)6/h20,22-27,32H,4,8-19H2,1-3,5-7H3/t22-,23+,24+,25+,26-,27-,28+,29-,30+,31-/m0/s1

0 references

InChIKey

MZJZIPJMIJVQMH-RNPZUXKWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MZJZIPJMIJVQMH-RNPZUXKWSA-N

(Q105175705)

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

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Identifiers

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