(Q105306383)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

490.3658247 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₅

0 references

canonical SMILES

O=C(OC1C(O)C2(C)C(CC(O)C2C(C)CCC(C)C(C)C)C3CC=C4CC(O)CCC4(C)C13)C

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isomeric SMILES

CC(=O)O[C@H]1[C@@H](O)[C@@]2(C)[C@@H](C[C@H](O)[C@@H]2[C@H](C)CC[C@H](C)C(C)C)[C@@H]2CC=C3C[C@@H](O)CC[C@]3(C)[C@H]21

0 references

found in taxon

Capnella lacertiliensis

1 reference

stated in

Oxygenated analogues of gorgosterol and ergosterol from the soft coral Capnella lacertiliensis

Identifiers

InChI

InChI=1S/C30H50O5/c1-16(2)17(3)8-9-18(4)25-24(33)15-23-22-11-10-20-14-21(32)12-13-29(20,6)26(22)27(35-19(5)31)28(34)30(23,25)7/h10,16-18,21-28,32-34H,8-9,11-15H2,1-7H3/t17-,18+,21-,22-,23-,24-,25-,26+,27+,28+,29-,30-/m0/s1

0 references

InChIKey

WINQDQSWJYMIPD-KSNLFDJSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WINQDQSWJYMIPD-KSNLFDJSSA-N

(Q105306383)

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

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