(Q105381890)

English

(1S,3R,8R,11S,12S,15R,16R)-15-[(5R)-5-hydroxy-6-methylhept-1-en-2-yl]-7,7,12,16-tetramethylpentacyclo[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

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

1 reference

1 reference

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,3R,8R,11S,12S,15R,16R)-15-[(5S)-5-hydroxy-6-methylhept-1-en-2-yl]-7,7,12,16-tetramethylpentacyclo[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

chemical formula

C₃₀H₄₈O₂

0 references

canonical SMILES

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

0 references

isomeric SMILES

C=C(CC[C@@H](O)C(C)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 neriifolia

1 reference

stated in

Neriifolione, a triterpene from Euphorbia neriifolia

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/h19,21-24,31H,3,8-18H2,1-2,4-7H3/t21-,22-,23+,24+,27-,28+,29-,30+/m1/s1

0 references

InChIKey

ZRDDQHIGRYPZAI-ZZOQNIIDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZRDDQHIGRYPZAI-ZZOQNIIDSA-N

(Q105381890)

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

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