(Q104921211)

English

(1S,3S,6S,11S,12S,15R,16R)-15-[(E,2R)-6-hydroperoxy-6-methylhept-4-en-2-yl]-7,7,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-8-en-6-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

15-(6-Hydroperoxy-6-methylhept-4-en-2-yl)-7,7,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-8-en-6-ol

1 reference

based on heuristic

inferred from SMILES

mass

442.344695332 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₆O₃

0 references

canonical SMILES

OOC(C=CCC(C)C1CCC2C3CC=C4C(C)(C)C(O)CCC45CC35CCC12C)(C)C

0 references

isomeric SMILES

C[C@H](C/C=C/C(C)(C)OO)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@@]21C

0 references

found in taxon

Aglaia grandis

1 reference

stated in

Pregnanes and triterpenoid hydroperoxides from the leaves of Aglaia grandis

Identifiers

InChI

InChI=1S/C29H46O3/c1-19(8-7-14-25(2,3)32-31)20-9-10-21-22-11-12-23-26(4,5)24(30)13-15-29(23)18-28(22,29)17-16-27(20,21)6/h7,12,14,19-22,24,30-31H,8-11,13,15-18H2,1-6H3/b14-7+/t19-,20-,21+,22+,24+,27-,28+,29-/m1/s1

0 references

InChIKey

AYMGCCLETSIKFO-NEWQQCQHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AYMGCCLETSIKFO-NEWQQCQHSA-N

(Q104921211)

(1S,3S,6S,11S,12S,15R,16R)-15-[(E,2R)-6-hydroperoxy-6-methylhept-4-en-2-yl]-7,7,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-8-en-6-ol

Statements

Identifiers

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