(Q105127575)

English

(Z,6R)-6-[(3R,3aR,6S,7S,9aS,9bS)-6-(2-carboxyethyl)-7-isopropenyl-3a,6,9b-trimethyl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methyl-hept-2-enoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

(Z,6R)-6-[(3R,3aR,6S,9aS,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

6-[6-(2-Carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid

1 reference

1 reference

470.339609952 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(Z,6S)-6-[(3R,3aR,6S,7S,9aS,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(Z,6R)-6-[(3R,3aR,6S,7S,9aR,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Kadsuracoccininic acid C

1 reference

based on heuristic

inferred from InChI

(E,6S)-6-[(3R,3aR,6S,7S,9aS,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₄

0 references

canonical SMILES

O=C(O)C(=CCCC(C)C1CCC2(C)C3C(=CCC12C)C(C)(CCC(=O)O)C(C(=C)C)CC3)C

0 references

isomeric SMILES

C=C(C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O

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found in taxon

Kadsura coccinea

1 reference

stated in

Kadsuracoccinic acids A-C, ring-A seco-lanostane triterpenes from Kadsura coccinea and their effects on embryonic cell division of Xenopus laevis

Kadsura japonica

1 reference

stated in

The constituents of Kadsura japonica Dunal. I. The structures of three new lignans, acetyl-, angeloyl- and caproyl-binankadsurin A.

Schisandra micrantha

2 references

stated in

Micranoic acids A and B: two new octanortriterpenoids from Schisandra micrantha.

stated in

Micranoic acids A and B: two new octanortriterpenoids from Schisandra micrantha.

Schisandra henryi

1 reference

stated in

Four Novel Nortriterpenoids Isolated fromSchisandra henryivar. yunnanensis

Identifiers

InChI

InChI=1S/C30H46O4/c1-19(2)22-11-12-25-24(28(22,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,14,20,22-23,25H,1,8-9,11-13,15-18H2,2-7H3,(H,31,32)(H,33,34)/b21-10-/t20-,22+,23-,25-,28+,29-,30+/m1/s1

0 references

InChIKey

JGNPDWQZTUZFHK-UFBUDVPFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105127575)

(Z,6R)-6-[(3R,3aR,6S,7S,9aS,9bS)-6-(2-carboxyethyl)-7-isopropenyl-3a,6,9b-trimethyl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methyl-hept-2-enoic acid

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