(Q105242362)

English

3-[(3S,3aR,5aR,6R,7S,9aR,9bR)-6,9a,9b-trimethyl-3-[(2S,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

chemical compound

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instance of

type of chemical entity

0 references

1 reference

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-[(3S,3aR,5aS,6S,7S,9aR,9bR)-6,9a,9b-trimethyl-3-[(2S,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₀H₄₈O₃

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canonical SMILES

O=C(O)CCC1(C)C(C(=C)C)CCC2(C)C1CCC3C(CCC32C)C4(OC(C(=C)C)CC4)C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]23C)O1

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Identifiers

InChI

InChI=1S/C30H48O3/c1-19(2)21-11-17-29(7)25(27(21,5)15-14-26(31)32)10-9-22-23(12-16-28(22,29)6)30(8)18-13-24(33-30)20(3)4/h21-25H,1,3,9-18H2,2,4-8H3,(H,31,32)/t21-,22+,23-,24-,25+,27+,28+,29+,30-/m0/s1

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InChIKey

ROONGBAFVTVDKQ-VIGFVYIESA-N

0 references

1 reference

4 January 2023

inferred from InChIKey

(Q105242362)

3-[(3S,3aR,5aR,6R,7S,9aR,9bR)-6,9a,9b-trimethyl-3-[(2S,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

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