(Q105218208)

English

(1S,3R,7R,8R,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-4-oxohept-5-en-2-yl]pentacyclo[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

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subclass of

7,12,16-trimethyl-15-(6-methyl-4-oxohept-5-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one

1 reference

based on heuristic

inferred from SMILES

mass

424.334130648 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₄O₂

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canonical SMILES

O=C(C=C(C)C)CC(C)C1CCC2(C)C3CCC4C(C(=O)CCC54CC35CCC12C)C

0 references

isomeric SMILES

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

0 references

found in taxon

Gardenia storckii

1 reference

stated in

Triterpenoids in bud exudates of FijianGardenia species

Identifiers

InChI

InChI=1S/C29H44O2/c1-18(2)15-21(30)16-19(3)22-9-11-27(6)25-8-7-23-20(4)24(31)10-12-28(23)17-29(25,28)14-13-26(22,27)5/h15,19-20,22-23,25H,7-14,16-17H2,1-6H3/t19-,20-,22-,23-,25+,26-,27+,28-,29+/m1/s1

0 references

InChIKey

QCFRXSFGCJMQQW-FZDKEBHHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QCFRXSFGCJMQQW-FZDKEBHHSA-N

(Q105218208)

(1S,3R,7R,8R,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-4-oxohept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

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