(Q105380459)

English

methyl (2Z)-2-[(4aR,4bS,6aR,6bS,7R,10aR,11aR,13aR)-1,1,4a,6a,7,11a-hexamethyl-2,9-dioxo-3,4,4b,5,6,6b,7,8,10a,11,13,13a-dodecahydroindeno[2,1-a]phenanthren-10-ylidene]propanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 2-(1,1,4a,6a,7,11a-hexamethyl-2,9-dioxo-3,4,4b,5,6,6b,7,8,10a,11,13,13a-dodecahydroindeno[2,1-a]phenanthren-10-ylidene)propanoate

1 reference

based on heuristic

inferred from SMILES

mass

480.323959888 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₄O₄

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canonical SMILES

O=C(OC)C(=C1C(=O)CC(C)C2C1CC3(C4=CCC5C(C(=O)CCC5(C)C4CCC23C)(C)C)C)C

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isomeric SMILES

COC(=O)/C(C)=C1\C(=O)C[C@@H](C)[C@H]2[C@H]1C[C@@]1(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]21C

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found in taxon

Abies sibirica

1 reference

stated in

Triterpenoids from Abies species VII. New lanostane lactones from Siberian fir needles

Identifiers

InChI

InChI=1S/C31H44O4/c1-17-15-22(32)25(18(2)27(34)35-8)19-16-31(7)21-9-10-23-28(3,4)24(33)12-13-29(23,5)20(21)11-14-30(31,6)26(17)19/h9,17,19-20,23,26H,10-16H2,1-8H3/b25-18-/t17-,19+,20-,23+,26+,29-,30-,31+/m1/s1

0 references

InChIKey

ZOGHUZBUMIOZBV-QUUWIXIJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZOGHUZBUMIOZBV-QUUWIXIJSA-N

(Q105380459)

methyl (2Z)-2-[(4aR,4bS,6aR,6bS,7R,10aR,11aR,13aR)-1,1,4a,6a,7,11a-hexamethyl-2,9-dioxo-3,4,4b,5,6,6b,7,8,10a,11,13,13a-dodecahydroindeno[2,1-a]phenanthren-10-ylidene]propanoate

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