(Q120332727)

English

5alpha-ergosta-5,22Z-dien-3beta-ol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

Ergosta-7,22-dien-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

398.35486609199995 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

5alpha-ergosta-7,22-dien-3beta-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-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 InChI

(3S,5S,9R,10S,13R,14S,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-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 InChI

Campesta-7,22E-dien-3beta-ol

1 reference

based on heuristic

inferred from InChI

(3S,5S,9R,10S,13R,14R,17R)-17-[(Z,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-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 InChI

(3S,5S,9S,10R,13S,14R,17S)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-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 InChI

chemical formula

C₂₈H₄₆O

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)C(C)C=CC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC21C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C\[C@H](C)C(C)C)CC[C@@]4([H])C3=CC[C@@]2([H])C[C@@H](O)C1

0 references

Identifiers

InChI

InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7-/t19-,20+,21-,22-,24+,25-,26-,27-,28+/m0/s1

1 reference

based on heuristic

inferred from SMILES

InChIKey

QOXPZVASXWSKKU-WGBKMOTLSA-N

1 reference

2 references

inferred from InChIKey

matched by identifier from

InChIKey

QOXPZVASXWSKKU-WGBKMOTLSA-N

ChEBI ID

172999

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7-/t19-,20+,21-,22-,24+,25-,26-,27-,28+/m0/s1

1 reference

0 references

(Q120332727)

5alpha-ergosta-5,22Z-dien-3beta-ol

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