(Q105190426)

English

(2S,8R,11S,12S,15R,16R)-2,7,7,12,16-pentamethyl-15-[(2R)-6-methyl-4-oxoheptan-2-yl]-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-1(18)-en-5-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2,7,7,12,16-Pentamethyl-15-(6-methyl-4-oxoheptan-2-yl)-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-1(18)-en-5-one

1 reference

based on heuristic

inferred from SMILES

mass

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₃

0 references

canonical SMILES

O=C1OC(C)(C)C2CCC3C(=CCC4(C)C(CCC34C)C(C)CC(=O)CC(C)C)C2(C)CC1

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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)OC(=O)CC[C@]4(C)C3=CC[C@]12C

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found in taxon

Kadsura coccinea

1 reference

stated in

Lanostane-type triterpenoids from the roots of Kadsura coccinea

Identifiers

InChI

InChI=1S/C30H48O3/c1-19(2)17-21(31)18-20(3)22-11-15-30(8)24-9-10-25-27(4,5)33-26(32)13-14-28(25,6)23(24)12-16-29(22,30)7/h12,19-20,22,24-25H,9-11,13-18H2,1-8H3/t20-,22-,24-,25+,28-,29-,30+/m1/s1

0 references

InChIKey

OEOHDJQOOIVDBQ-CWIFRZCHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OEOHDJQOOIVDBQ-CWIFRZCHSA-N

(Q105190426)

(2S,8R,11S,12S,15R,16R)-2,7,7,12,16-pentamethyl-15-[(2R)-6-methyl-4-oxoheptan-2-yl]-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-1(18)-en-5-one

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Identifiers

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