(Q105328531)

English

(4S,5S,9S,10R,13S,14S,17S)-4-(hydroxymethyl)-4,10,13,14-tetramethyl-17-[(2S)-6-methyl-4-oxohept-5-en-2-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-(Hydroxymethyl)-4,10,13,14-tetramethyl-17-(6-methyl-4-oxohept-5-en-2-yl)-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

mass

454.344695332 dalton

1 reference

1 reference

C₃₀H₄₆O₃

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canonical SMILES

O=C(C=C(C)C)CC(C)C1CCC2(C3=CCC4C(C(=O)CCC4(C)C3CCC12C)(C)CO)C

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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)(CO)C(=O)CC[C@]4(C)[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/h8,16,20,22-23,25,31H,9-15,17-18H2,1-7H3/t20-,22-,23+,25-,27+,28+,29-,30+/m0/s1

0 references

InChIKey

XIKFTDGQZBGUJZ-DQNWFVIESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XIKFTDGQZBGUJZ-DQNWFVIESA-N

(Q105328531)

(4S,5S,9S,10R,13S,14S,17S)-4-(hydroxymethyl)-4,10,13,14-tetramethyl-17-[(2S)-6-methyl-4-oxohept-5-en-2-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

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