(Q105275864)

English

(5S,8R,9S,10S,13S,14R,17S)-4,5,9,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,6,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3a,5a,6,9b,11a-pentamethyl-1-(6-methylhept-5-en-2-yl)-1H,2H,3H,3bH,4H,5H,8H,9H,9aH,10H,11H-cyclopenta[a]phenanthrene

1 reference

based on heuristic

inferred from SMILES

mass

410.3912516 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀

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canonical SMILES

C(=C(C)C)CCC(C)C1CCC2(C)C3CCC4(C(=CCCC4C3(C)CCC12C)C)C

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isomeric SMILES

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

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found in taxon

Goniophlebium niponicum

1 reference

stated in

Fern constituents: Three new skeletal triterpenoid hydrocarbons isolated from Polypodiodes niponica

Identifiers

InChI

InChI=1S/C30H50/c1-21(2)11-9-12-22(3)24-15-18-30(8)26-16-17-27(5)23(4)13-10-14-25(27)28(26,6)19-20-29(24,30)7/h11,13,22,24-26H,9-10,12,14-20H2,1-8H3/t22-,24-,25+,26+,27+,28-,29-,30+/m0/s1

0 references

InChIKey

UNAJOTIVDWEYQR-CTTPYJCGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UNAJOTIVDWEYQR-CTTPYJCGSA-N

(Q105275864)

(5S,8R,9S,10S,13S,14R,17S)-4,5,9,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,6,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene

Statements

Identifiers

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