(Q105111366)

English

(1S,3S,6S,11S,12S,15R,16R)-15-[(2R,5R)-5-hydroperoxy-6-methylhept-6-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-(5-Hydroperoxy-6-methylhept-6-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(=C)C)CCC(C)C1CCC2C3CC=C4C(C)(C)C(O)CCC45CC35CCC12C

0 references

isomeric SMILES

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

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/c1-18(2)23(32-31)11-7-19(3)20-8-9-21-22-10-12-24-26(4,5)25(30)13-14-29(24)17-28(22,29)16-15-27(20,21)6/h12,19-23,25,30-31H,1,7-11,13-17H2,2-6H3/t19-,20-,21+,22+,23-,25+,27-,28+,29-/m1/s1

0 references

InChIKey

IDHAFXOFXHXZPR-PHTSHLRMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IDHAFXOFXHXZPR-PHTSHLRMSA-N

(Q105111366)

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

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Identifiers

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