(Q105266857)

English

(Z,6R)-6-[(1S,4R,5R,8S,9S,12S,13R)-13-(2-carboxyethyl)-4,8-dimethyl-12-(1-methylcyclopropyl)-5-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-[13-(2-Carboxyethyl)-4,8-dimethyl-12-(1-methylcyclopropyl)-5-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

484.355260016 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₈O₄

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canonical SMILES

O=C(O)C(=CCCC(C)C1CCC2(C)C3CCC(C4(C)CC4)C5(CCC(=O)O)CC35CCC12C)C

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isomeric SMILES

C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C4(C)CC4)[C@@]4(CCC(=O)O)C[C@@]34CC[C@]12C)C(=O)O

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found in taxon

Schisandra lancifolia

1 reference

stated in

Triterpenoids from Schisandra lancifolia with anti-HIV-1 activity

Identifiers

InChI

InChI=1S/C31H48O4/c1-20(7-6-8-21(2)26(34)35)22-11-13-29(5)24-10-9-23(27(3)15-16-27)30(14-12-25(32)33)19-31(24,30)18-17-28(22,29)4/h8,20,22-24H,6-7,9-19H2,1-5H3,(H,32,33)(H,34,35)/b21-8-/t20-,22-,23+,24+,28-,29+,30-,31+/m1/s1

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InChIKey

TXNBIFNTDYSZNF-XTCJCKKCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TXNBIFNTDYSZNF-XTCJCKKCSA-N

(Q105266857)

(Z,6R)-6-[(1S,4R,5R,8S,9S,12S,13R)-13-(2-carboxyethyl)-4,8-dimethyl-12-(1-methylcyclopropyl)-5-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoic acid

Statements

Identifiers

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