(Q105142894)

English

(3S,4S,5R,10S,13R,14S,17R)-4,10,13,14-tetramethyl-17-[(2S)-6-methylhept-5-en-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

chemical compound

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instance of

type of chemical entity

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subclass of

4,10,13,14-Tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

412.370516156 dalton

1 reference

1 reference

1 reference

C₂₉H₄₈O

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canonical SMILES

OC1CCC2(C3=C(CCC2C1C)C4(C)CCC(C(C)CCC=C(C)C)C4(C)CC3)C

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isomeric SMILES

CC(C)=CCC[C@H](C)[C@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@H]1CC3

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found in taxon

Digitalis purpurea

1 reference

stated in

The sterols and tetracyclic triterpenoids of Digitalis purpurea L. seeds

Identifiers

InChI

InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-13-17-29(7)25-12-11-23-21(4)26(30)15-16-27(23,5)24(25)14-18-28(22,29)6/h9,20-23,26,30H,8,10-18H2,1-7H3/t20-,21-,22+,23+,26-,27-,28+,29+/m0/s1

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InChIKey

KLZWTHGLLDRKHD-URHYCXHISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KLZWTHGLLDRKHD-URHYCXHISA-N

(Q105142894)

(3S,4S,5R,10S,13R,14S,17R)-4,10,13,14-tetramethyl-17-[(2S)-6-methylhept-5-en-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

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