(Q105327610)

English

[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-5,5,6-trimethylhept-6-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

7,7,12,16-tetramethyl-15-(5,5,6-trimethylhept-6-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl octadeca-9,12,15-trienoate

1 reference

based on heuristic

inferred from SMILES

mass

714.631481864 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₀H₈₂O₂

0 references

canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Goniophlebium mengtzeense

1 reference

stated in

Triterpenoids from the fern Goniophlebium mengtzeense

Identifiers

InChI

InChI=1S/C50H82O2/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-44(51)52-43-31-34-49-37-50(49)36-35-47(9)40(39(4)29-32-45(5,6)38(2)3)30-33-48(47,10)42(50)28-27-41(49)46(43,7)8/h12-13,15-16,18-19,39-43H,2,11,14,17,20-37H2,1,3-10H3/b13-12-,16-15-,19-18-/t39-,40-,41+,42+,43+,47-,48+,49-,50+/m1/s1

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InChIKey

XGIASSNRBGOTIR-SRNNKSSHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XGIASSNRBGOTIR-SRNNKSSHSA-N

(Q105327610)

[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-5,5,6-trimethylhept-6-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

Statements

Identifiers

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