(Q105026817)

English

[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] hexadecanoate

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-methylhept-5-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl hexadecanoate

1 reference

based on heuristic

inferred from SMILES

mass

664.6158318 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₆H₈₀O₂

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canonical SMILES

O=C(OC1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1(C)C)C(C)CCC=C(C)C)CCCCCCCCCCCCCCC

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isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C

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found in taxon

Goniophlebium mengtzeense

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stated in

Triterpenoids from the fern Goniophlebium mengtzeense

Solidago canadensis

1 reference

stated in

New lupane triterpenoids from Solidago canadensis that inhibit the lyase activity of DNA polymerase beta.

Identifiers

InChI

InChI=1S/C46H80O2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-25-41(47)48-40-29-31-45-34-46(45)33-32-43(7)37(36(4)24-22-23-35(2)3)28-30-44(43,8)39(46)27-26-38(45)42(40,5)6/h23,36-40H,9-22,24-34H2,1-8H3/t36-,37-,38+,39+,40+,43-,44+,45-,46+/m1/s1

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InChIKey

HEGKDSCDQVWLCL-HSHQTBGQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HEGKDSCDQVWLCL-HSHQTBGQSA-N

(Q105026817)

[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] hexadecanoate

Statements

Identifiers

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