(Q105225067)

English

(3R,4R,5R,9S,10R,13S,14S,17S)-3-hydroxy-4,10,13,14-tetramethyl-17-[(2S)-6-methyl-4-oxohept-5-en-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-4-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-hydroxy-4,10,13,14-tetramethyl-17-(6-methyl-4-oxohept-5-en-2-yl)-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-4-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

454.344695332 dalton

1 reference

1 reference

C₃₀H₄₆O₃

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canonical SMILES

O=CC1(C)C(O)CCC2(C)C3C(=CCC12)C4(C)CCC(C(C)CC(=O)C=C(C)C)C4(C)CC3

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isomeric SMILES

CC(C)=CC(=O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4[C@](C)(CC[C@@H](O)[C@]4(C)C=O)[C@@H]3CC[C@@]12C

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found in taxon

Dysoxylum macranthum

1 reference

stated in

Tirucallane triterpenes from Dysoxylum macranthum

Identifiers

InChI

InChI=1S/C30H46O3/c1-19(2)16-21(32)17-20(3)22-10-14-30(7)24-8-9-25-27(4,23(24)11-15-29(22,30)6)13-12-26(33)28(25,5)18-31/h8,16,18,20,22-23,25-26,33H,9-15,17H2,1-7H3/t20-,22-,23+,25+,26+,27+,28+,29-,30+/m0/s1

0 references

InChIKey

QOQBENNJNCTRTF-XYULNCHCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QOQBENNJNCTRTF-XYULNCHCSA-N

(Q105225067)

(3R,4R,5R,9S,10R,13S,14S,17S)-3-hydroxy-4,10,13,14-tetramethyl-17-[(2S)-6-methyl-4-oxohept-5-en-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-4-carbaldehyde

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Identifiers

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