(Q104953246)

English

(3S,5R,10S,13R,14R,15S,17R)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,15-diol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(1R,7S,9aS,11aR)-3a,6,6,9a,11a-pentamethyl-1-(6-methylhept-5-en-2-yl)-1H,2H,3H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthrene-3,7-diol

1 reference

based on heuristic

inferred from SMILES

4,4,10,13,14-Pentamethyl-17-(1,5-dimethyl-4-hexenyl)-2,3,4,5,6,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,15-diol

1 reference

based on heuristic

inferred from SMILES

mass

440.365430776 dalton

1 reference

1 reference

inferred from InChIKey

chemical formula

C₃₀H₄₈O₂

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canonical SMILES

OC1CCC2(C3=CCC4(C)C(CC(O)C4(C3=CCC2C1(C)C)C)C(C)CCC=C(C)C)C

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isomeric SMILES

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

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found in taxon

Guatteria blepharophylla

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stated in

Azafluorenones and azaanthraquinone from Guatteria dielsiana

Melodorum fruticosum

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stated in

Bioactive constituents of Melodorum fruticosum

Uvaria siamensis

1 reference

stated in

Bioactive constituents of Melodorum fruticosum

Identifiers

InChI

InChI=1S/C30H48O2/c1-19(2)10-9-11-20(3)23-18-26(32)30(8)22-12-13-24-27(4,5)25(31)15-16-28(24,6)21(22)14-17-29(23,30)7/h10,12,14,20,23-26,31-32H,9,11,13,15-18H2,1-8H3/t20-,23+,24-,25-,26-,28+,29+,30+/m0/s1

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InChIKey

CCFQLQIYEHITNK-LNISQLTRSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104953246)

(3S,5R,10S,13R,14R,15S,17R)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,15-diol

Statements

Identifiers

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