(Q105258981)

English

(1S,3R,8S,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-4-oxoheptan-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

7,7,12,16-Tetramethyl-15-(6-methyl-4-oxoheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

1 reference

based on heuristic

inferred from SMILES

mass

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₂

0 references

canonical SMILES

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

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isomeric SMILES

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

Gardenia taitensis

1 reference

stated in

Triterpenoids in bud exudates of FijianGardenia species

Identifiers

InChI

InChI=1S/C30H48O2/c1-19(2)16-21(31)17-20(3)22-10-12-28(7)24-9-8-23-26(4,5)25(32)11-13-29(23)18-30(24,29)15-14-27(22,28)6/h19-20,22-24H,8-18H2,1-7H3/t20-,22-,23-,24+,27-,28+,29-,30+/m1/s1

0 references

InChIKey

SRDWSQUWZHDPPY-IETLNIHXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SRDWSQUWZHDPPY-IETLNIHXSA-N

(Q105258981)

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

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Identifiers

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