(Q105157521)

English

[(1aS,4aS,7S,8aR)-4a-methyl-3-[(1R,2S,3R)-2-methyl-3-[(2R)-6-methylheptan-2-yl]-2-(2-oxoethyl)cyclopentyl]-4-oxo-5,6,7,8-tetrahydro-1aH-naphtho[1,8a-b]oxiren-7-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

9,11-secocholestane steroid

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mass

472.318874508 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₄O₅

0 references

canonical SMILES

O=CCC1(C)C(C2=CC3OC43CC(OC(=O)C)CCC4(C2=O)C)CCC1C(C)CCCC(C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C)C(=O)C([C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@]3(C)CC=O)=C[C@@H]3O[C@@]32C1

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found in taxon

Luffariella

1 reference

stated in

Luffasterols A-C, 9,11-secosterols from the Palauan sponge Luffariella sp.

Identifiers

InChI

InChI=1S/C29H44O5/c1-18(2)8-7-9-19(3)23-10-11-24(27(23,5)14-15-30)22-16-25-29(34-25)17-21(33-20(4)31)12-13-28(29,6)26(22)32/h15-16,18-19,21,23-25H,7-14,17H2,1-6H3/t19-,21+,23-,24+,25+,27+,28-,29+/m1/s1

0 references

InChIKey

LULBFAIQTMKTGW-SPZRSCIOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LULBFAIQTMKTGW-SPZRSCIOSA-N

(Q105157521)

[(1aS,4aS,7S,8aR)-4a-methyl-3-[(1R,2S,3R)-2-methyl-3-[(2R)-6-methylheptan-2-yl]-2-(2-oxoethyl)cyclopentyl]-4-oxo-5,6,7,8-tetrahydro-1aH-naphtho[1,8a-b]oxiren-7-yl] acetate

Statements

Identifiers

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