(Q105143202)

English

methyl 3-[(3S,3aR,5aR,6S,7R,9aR,9bR)-7-(2-hydroxypropan-2-yl)-3-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 3-[7-(2-hydroxypropan-2-yl)-3-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate

1 reference

based on heuristic

inferred from SMILES

mass

506.397124828 dalton

1 reference

1 reference

inferred from InChIKey

1 reference

1 reference

C₃₁H₅₄O₅

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canonical SMILES

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

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isomeric SMILES

COC(=O)CC[C@]1(C)[C@H](C(C)(C)O)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)CC[C@]12C

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found in taxon

Aglaia silvestris

1 reference

stated in

Silvaglins and related 2,3-secodammarane derivatives - unusual types of triterpenes from Aglaia silvestris

Identifiers

InChI

InChI=1S/C31H54O5/c1-26(2,33)22-13-18-30(7)23(28(22,5)16-15-25(32)35-9)11-10-20-21(12-17-29(20,30)6)31(8)19-14-24(36-31)27(3,4)34/h20-24,33-34H,10-19H2,1-9H3/t20-,21+,22+,23-,24-,28-,29-,30-,31+/m1/s1

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InChIKey

KMTSRTXGLOZVER-QLSROYAPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KMTSRTXGLOZVER-QLSROYAPSA-N

(Q105143202)

methyl 3-[(3S,3aR,5aR,6S,7R,9aR,9bR)-7-(2-hydroxypropan-2-yl)-3-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate

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