(Q105151610)

English

[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[17-(5,6-dimethylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₂

0 references

canonical SMILES

O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCC(C(=C)C)C)C2(C)CC1)C

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isomeric SMILES

C=C(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C

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found in taxon

Codium fragile

1 reference

stated in

Sterols of the siphonous marine alga Codium fragile

maize

1 reference

stated in

Investigations on the Δ23-, Δ24(28)- and Δ25-Sterols of zea mays

Identifiers

InChI

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

0 references

InChIKey

LGWPVSYEGQFZII-VDJOWXGMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LGWPVSYEGQFZII-VDJOWXGMSA-N

(Q105151610)

[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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Identifiers

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