(Q105145705)

English

(3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(E,2R,5S)-4,5,6-trimethylhept-3-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4,10,13-trimethyl-17-(4,5,6-trimethylhept-3-en-2-yl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

426.38616622 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O

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canonical SMILES

OC1CCC2(C)C3C(=CCC2C1C)C4CCC(C(C=C(C)C(C)C(C)C)C)C4(C)CC3

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isomeric SMILES

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

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found in taxon

Diplopterygium glaucum

1 reference

stated in

Triterpene Alcohols and Sterols from the Fern Gleichenia japonica SPR.

Gleichenia japonica

1 reference

stated in

Triterpene Alcohols and Sterols from the Fern Gleichenia japonica SPR.

Identifiers

InChI

InChI=1S/C30H50O/c1-18(2)21(5)19(3)17-20(4)24-11-12-26-23-9-10-25-22(6)28(31)14-16-30(25,8)27(23)13-15-29(24,26)7/h9,17-18,20-22,24-28,31H,10-16H2,1-8H3/b19-17+/t20-,21+,22+,24-,25+,26+,27+,28+,29-,30+/m1/s1

0 references

InChIKey

KTCQEWJZIOUUSK-UWGVYUKQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KTCQEWJZIOUUSK-UWGVYUKQSA-N

(Q105145705)

(3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(E,2R,5S)-4,5,6-trimethylhept-3-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Statements

Identifiers

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