(Q105112436)

English

(Z,6R)-6-[(1S,4R,5R,8S,9S,12S,13R)-13-(2-carboxyethyl)-4,8-dimethyl-12-prop-1-en-2-yl-5-tetracyclo[7.5.0.01,13.04,8]tetradec-10-enyl]-2-methylhept-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

6-[13-(2-Carboxyethyl)-4,8-dimethyl-12-prop-1-en-2-yl-5-tetracyclo[7.5.0.01,13.04,8]tetradec-10-enyl]-2-methylhept-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

468.323959888 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₄O₄

0 references

canonical SMILES

O=C(O)C(=CCCC(C)C1CCC2(C)C3C=CC(C(=C)C)C4(CCC(=O)O)CC34CCC12C)C

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isomeric SMILES

C=C(C)[C@@H]1C=C[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]24C)C[C@]13CCC(=O)O

0 references

found in taxon

Kadsura heteroclita

1 reference

stated in

New triterpenoids from Kadsura heteroclita and their cytotoxic activity

Schisandra henryi

1 reference

stated in

Four Novel Nortriterpenoids Isolated fromSchisandra henryivar. yunnanensis

Identifiers

InChI

InChI=1S/C30H44O4/c1-19(2)22-10-11-24-28(6)14-12-23(20(3)8-7-9-21(4)26(33)34)27(28,5)16-17-30(24)18-29(22,30)15-13-25(31)32/h9-11,20,22-24H,1,7-8,12-18H2,2-6H3,(H,31,32)(H,33,34)/b21-9-/t20-,22+,23-,24+,27-,28+,29-,30+/m1/s1

0 references

InChIKey

IFWUZPCVJHANEI-BRTULJEKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IFWUZPCVJHANEI-BRTULJEKSA-N

(Q105112436)

(Z,6R)-6-[(1S,4R,5R,8S,9S,12S,13R)-13-(2-carboxyethyl)-4,8-dimethyl-12-prop-1-en-2-yl-5-tetracyclo[7.5.0.01,13.04,8]tetradec-10-enyl]-2-methylhept-2-enoic acid

Statements

Identifiers

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